3-[6-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid

Systemtic Name: 3-[6-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Openeye Name: 3-[6-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid CAS Name: 3-[[1-oxo-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]hexyl]amino]benzoic acid IUPAC Name: 3-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Traditional Name: 3-[6-[(5Z)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=CS3)SC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCCCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S)C(=O)O

InChI

InChI=1S/C21H20N2O4S3/c24-18(22-15-7-4-6-14(12-15)20(26)27)9-2-1-3-10-23-19(25)17(30-21(23)28)13-16-8-5-11-29-16/h4-8,11-13H,1-3,9-10H2,(H,22,24)(H,26,27)/b17-13-