2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid

Systemtic Name: 2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid Openeye Name: 2-[3-(o-tolyl)propanoylamino]ethanethioic S-acid CAS Name: 2-[[3-(2-methylphenyl)-1-oxopropyl]amino]ethanethioic S-acid IUPAC Name: 2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid Traditional Name: 2-[3-(o-tolyl)propanoylamino]thioacetic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NCC(=O)S

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NCC(=O)S

InChI

InChI=1S/C12H15NO2S/c1-9-4-2-3-5-10(9)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)