[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-17-12-9-13-18(5-2)22(17)26-21(27)16-30-24(29)20(14-15-31-3)25-23(28)19-10-7-6-8-11-19/h6-13,20H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,27)