ethyl 4-[6-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate

Systemtic Name: ethyl 4-[6-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: ethyl 4-[6-[(5Z)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]hexyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 4-[6-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid ethyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S2/c1-2-31-24(30)19-12-14-20(15-13-19)26-22(28)11-7-4-8-16-27-23(29)21(33-25(27)32)17-18-9-5-3-6-10-18/h3,5-6,9-10,12-15,17H,2,4,7-8,11,16H2,1H3,(H,26,28)/b21-17-