4-methyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: 4-methyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate Openeye Name: 4-methyl-3-[[(2R)-2-(p-tolylsulfanyl)propanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2R)-2-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoate IUPAC Name: 4-methyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2R)-2-(p-tolylthio)propanoyl]amino]benzoate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NC2=C(C=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C18H19NO3S/c1-11-4-8-15(9-5-11)23-13(3)17(20)19-16-10-14(18(21)22)7-6-12(16)2/h4-10,13H,1-3H3,(H,19,20)(H,21,22)/p-1/t13-/m1/s1