methyl (2S)-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-[(4-chlorophenyl)thio]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-13(25-16-10-8-15(20)9-11-16)18(22)21-17(19(23)24-2)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,22)/t13?,17-/m0/s1