ethyl 4-[3-[3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[3-(4-ethoxycarbonylanilino)-3-oxo-propyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[[3-(4-ethoxycarbonylanilino)-3-oxopropyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[3-(4-carbethoxyanilino)-3-keto-propyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C24H28N2O6S/c1-3-31-23(29)17-5-9-19(10-6-17)25-21(27)13-15-33-16-14-22(28)26-20-11-7-18(8-12-20)24(30)32-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)