[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-30-11-10-18(25-20(27)15-4-6-16(22)7-5-15)21(28)29-13-19(26)24-17-8-2-14(12-23)3-9-17/h2-9,18H,10-11,13H2,1H3,(H,24,26)(H,25,27)