[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3S/c1-13(19(23)22-17-8-9-17)25-20(24)15-4-2-14(3-5-15)12-26-18-10-6-16(21)7-11-18/h2-7,10-11,13,17H,8-9,12H2,1H3,(H,22,23)