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

Systemtic Name: 2-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(o-tolylmethyl)-2-sulfanyl-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-mercapto-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[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=C2C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CS)NC(=O)C2=CC=CC=C2C(=O)O

InChI

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