2-diethylaminoethyl 4-[4-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[4-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoate CAS Name: 4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate Traditional Name: 4-[4-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S

InChI

InChI=1S/C27H31N3O4S2/c1-3-29(4-2)17-18-34-26(33)21-12-14-22(15-13-21)28-24(31)11-8-16-30-25(32)23(36-27(30)35)19-20-9-6-5-7-10-20/h5-7,9-10,12-15,19H,3-4,8,11,16-18H2,1-2H3,(H,28,31)/b23-19-