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

Systemtic Name: 2-dimethylaminoethyl 4-[6-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S2/c1-29(2)17-18-34-26(33)21-12-14-22(15-13-21)28-24(31)11-7-4-8-16-30-25(32)23(36-27(30)35)19-20-9-5-3-6-10-20/h3,5-6,9-10,12-15,19H,4,7-8,11,16-18H2,1-2H3,(H,28,31)/b23-19-