4-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyl]phthalic acid

Systemtic Name: 4-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyl]phthalic acid Openeye Name: 4-[[1-(o-tolylmethyl)-2-sulfanyl-ethyl]carbamoyl]phthalic acid CAS Name: 4-[[[1-mercapto-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]phthalic acid IUPAC Name: 4-[[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamoyl]phthalic acid Traditional Name: 4-[[1-(mercaptomethyl)-2-(o-tolyl)ethyl]carbamoyl]phthalic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-11-4-2-3-5-12(11)8-14(10-26)20-17(21)13-6-7-15(18(22)23)16(9-13)19(24)25/h2-7,9,14,26H,8,10H2,1H3,(H,20,21)(H,22,23)(H,24,25)