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

Systemtic Name: butyl 4-[6-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S2/c1-2-3-18-33-26(32)21-13-15-22(16-14-21)28-24(30)12-8-5-9-17-29-25(31)23(35-27(29)34)19-20-10-6-4-7-11-20/h4,6-7,10-11,13-16,19H,2-3,5,8-9,12,17-18H2,1H3,(H,28,30)/b23-19-