2-[2-azanyl-1-(2-methylphenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-azanyl-1-(2-methylphenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-amino-1-(o-tolyl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-amino-1-(2-methylphenyl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-amino-1-(2-methylphenyl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-amino-2-keto-1-(o-tolyl)ethyl]thio]acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)N)SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)N)SCC(=O)O

InChI

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