2-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyloxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyloxy]-2-phenyl-ethanoic acid Openeye Name: 2-[[1-(o-tolylmethyl)-2-sulfanyl-ethyl]carbamoyloxy]-2-phenyl-acetic acid CAS Name: 2-[[[1-mercapto-3-(2-methylphenyl)propan-2-yl]amino]-oxomethoxy]-2-phenylacetic acid IUPAC Name: 2-[[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamoyloxy]-2-phenylacetic acid Traditional Name: 2-[[1-(mercaptomethyl)-2-(o-tolyl)ethyl]carbamoyloxy]-2-phenyl-acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-13-7-5-6-10-15(13)11-16(12-25)20-19(23)24-17(18(21)22)14-8-3-2-4-9-14/h2-10,16-17,25H,11-12H2,1H3,(H,20,23)(H,21,22)