[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S/c22-16-8-12-18(13-9-16)27-14-4-7-19(24)26-20(15-5-2-1-3-6-15)21(25)23-17-10-11-17/h1-3,5-6,8-9,12-13,17,20H,4,7,10-11,14H2,(H,23,25)