3-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-(o-tolylmethyl)-2-sulfanyl-ethyl]carbamoyl]benzoic acid CAS Name: 3-[[[1-mercapto-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[[1-(mercaptomethyl)-2-(o-tolyl)ethyl]carbamoyl]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)NC(=O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CS)NC(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-12-5-2-3-6-13(12)10-16(11-23)19-17(20)14-7-4-8-15(9-14)18(21)22/h2-9,16,23H,10-11H2,1H3,(H,19,20)(H,21,22)