[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3S/c21-15-6-10-17(11-7-15)26-13-12-18(23)25-19(14-4-2-1-3-5-14)20(24)22-16-8-9-16/h1-7,10-11,16,19H,8-9,12-13H2,(H,22,24)/t19-/m1/s1