2-[(2-methylphenyl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(2-methylphenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2-methylbenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2-methylbenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(o-toluoylamino)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CS)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-7-4-2-3-5-8(7)10(13)12-9(6-16)11(14)15/h2-5,9,16H,6H2,1H3,(H,12,13)(H,14,15)