methyl (2R,3S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]-3-phenyl-propanoate

Systemtic Name: methyl (2R,3S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]-3-phenyl-propanoate Openeye Name: methyl (2R,3S)-2-acetamido-3-phenyl-3-(p-tolylmethylsulfanyl)propanoate CAS Name: (2R,3S)-2-acetamido-3-[(4-methylphenyl)methylthio]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-acetamido-3-[(4-methylphenyl)methylsulfanyl]-3-phenylpropanoate Traditional Name: (2R,3S)-2-acetamido-3-[(4-methylbenzyl)thio]-3-phenyl-propionic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C2=CC=CC=C2)C(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CS[C@@H](C2=CC=CC=C2)[C@@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C20H23NO3S/c1-14-9-11-16(12-10-14)13-25-19(17-7-5-4-6-8-17)18(20(23)24-3)21-15(2)22/h4-12,18-19H,13H2,1-3H3,(H,21,22)/t18-,19-/m0/s1