3-[4-[4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

Systemtic Name: 3-[4-[4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 3-[4-[4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-4-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]butyl]amino]benzoic acid IUPAC Name: 3-[4-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 3-[4-[4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid Formula: C19H16N2O4S3 MolecularWeight: 432.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=CS3)SC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=CS3)SC2=S)C(=O)O

InChI

InChI=1S/C19H16N2O4S3/c22-16(20-13-5-1-4-12(10-13)18(24)25)7-2-8-21-17(23)15(28-19(21)26)11-14-6-3-9-27-14/h1,3-6,9-11H,2,7-8H2,(H,20,22)(H,24,25)