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

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

CC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2CC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2CC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3S/c1-13(26-17-11-7-15(21)8-12-17)20(24)25-18(14-5-3-2-4-6-14)19(23)22-16-9-10-16/h2-8,11-13,16,18H,9-10H2,1H3,(H,22,23)/t13-,18-/m1/s1