2-[3-methyl-2-(2-sulfanylethanoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-methyl-2-(2-sulfanylethanoylamino)phenyl]ethanoic acid Openeye Name: 2-[3-methyl-2-[(2-sulfanylacetyl)amino]phenyl]acetic acid CAS Name: 2-[2-[(2-mercapto-1-oxoethyl)amino]-3-methylphenyl]acetic acid IUPAC Name: 2-[3-methyl-2-[(2-sulfanylacetyl)amino]phenyl]acetic acid Traditional Name: 2-[2-[(2-mercaptoacetyl)amino]-3-methyl-phenyl]acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(=O)O)NC(=O)CS

Isomeric SMILES

CC1=C(C(=CC=C1)CC(=O)O)NC(=O)CS

InChI

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