methyl 3-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-2-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-2-methyl-benzoate CAS Name: 3-[[(2S)-2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-2-methylbenzoate Traditional Name: 3-[[(2S)-2-[(4-chlorophenyl)thio]propanoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)SC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)[C@H](C)SC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H18ClNO3S/c1-11-15(18(22)23-3)5-4-6-16(11)20-17(21)12(2)24-14-9-7-13(19)8-10-14/h4-10,12H,1-3H3,(H,20,21)/t12-/m0/s1