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

Systemtic Name: 2-diethylaminoethyl 4-[6-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[6-[(5E)-5-benzylidene-2-oxo-4-thioxo-thiazolidin-3-yl]hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-[(5E)-2-oxo-5-(phenylmethylene)-4-sulfanylidene-3-thiazolidinyl]hexyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[6-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoate Traditional Name: 4-[6-[(5E)-5-benzal-2-keto-4-thioxo-thiazolidin-3-yl]hexanoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O4S2/c1-3-31(4-2)19-20-36-28(34)23-14-16-24(17-15-23)30-26(33)13-9-6-10-18-32-27(37)25(38-29(32)35)21-22-11-7-5-8-12-22/h5,7-8,11-12,14-17,21H,3-4,6,9-10,13,18-20H2,1-2H3,(H,30,33)/b25-21+