[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)CNC(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-14(26-18-6-4-3-5-7-18)20(24)25-13-19(23)17-10-8-16(9-11-17)12-21-15(2)22/h3-11,14H,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1