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Substance Name: 3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-
RN: 33006-80-3
InChIKey: OIVXXGLSVHGVOJ-BOHMQVRCSA-N

Molecular Formula

  • C21-H17-N3-O6-S4

Molecular Weight

  • 535.644
 
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Names and Synonyms

Synonym

  • EINECS 251-333-5

Systematic Names

  • 3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-
  • 3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-
  • 5-(3-(Carboxymethyl)-5-((3-ethylbenzothiazol-2(3H)-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid

Registry Numbers

CAS Registry Number

  • 33006-80-3

System Generated Number

  • 0033006803

Structure Descriptors

InChI

1S/C21H17N3O6S4/c1-2-22-11-5-3-4-6-12(11)32-14(22)8-7-13-18(29)23(9-15(25)26)20(33-13)17-19(30)24(10-16(27)28)21(31)34-17/h3-8H,2,9-10H2,1H3,(H,25,26)(H,27,28)/b13-7+,14-8+,20-17+

InChIKey

OIVXXGLSVHGVOJ-BOHMQVRCSA-N

Smiles

O=C1N(C(S\C1=c1/n(c(=O)\c(=C/C=C2\N(c3c(cccc3)S2)CC)s1)CC(=O)O)=S)CC(=O)O