[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-4-17-10-12-19(13-11-17)24-21(26)16(2)29-23(28)20(14-15-30-3)25-22(27)18-8-6-5-7-9-18/h5-13,16,20H,4,14-15H2,1-3H3,(H,24,26)(H,25,27)