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

Systemtic Name: 2-[[1-(2-methylphenyl)-3-sulfanyl-propan-2-yl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[1-(o-tolylmethyl)-2-sulfanyl-ethyl]carbamoyloxy]acetic acid CAS Name: 2-[[[1-mercapto-3-(2-methylphenyl)propan-2-yl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamoyloxy]acetic acid Traditional Name: 2-[[1-(mercaptomethyl)-2-(o-tolyl)ethyl]carbamoyloxy]acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)NC(=O)OCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CS)NC(=O)OCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9-4-2-3-5-10(9)6-11(8-19)14-13(17)18-7-12(15)16/h2-5,11,19H,6-8H2,1H3,(H,14,17)(H,15,16)