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

Systemtic Name: 2-[6-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Openeye Name: 2-[6-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid CAS Name: 2-[[1-oxo-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]hexyl]amino]benzoic acid IUPAC Name: 2-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid Traditional Name: 2-[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=C(C(=C1)C(=O)O)NC(=O)CCCCCN2C(=O)C(=CC3=CC=CS3)SC2=S

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S3/c24-18(22-16-9-4-3-8-15(16)20(26)27)10-2-1-5-11-23-19(25)17(30-21(23)28)13-14-7-6-12-29-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,22,24)(H,26,27)/b17-13-