[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: 1-[(4-acetylphenyl)carbamoyl]propyl 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [1-(4-acetylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxobutan-2-yl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid 1-[(4-acetylphenyl)carbamoyl]propyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H30N2O5S/c1-3-26(28(34)30-24-16-14-22(15-17-24)20(2)32)36-29(35)25(19-37-18-21-10-6-4-7-11-21)31-27(33)23-12-8-5-9-13-23/h4-17,25-26H,3,18-19H2,1-2H3,(H,30,34)(H,31,33)