[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-13(23)15-3-7-17(8-4-15)22-20(25)14(2)26-19(24)11-12-27-18-9-5-16(21)6-10-18/h3-10,14H,11-12H2,1-2H3,(H,22,25)/t14-/m1/s1