3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-methylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(m-toluidino)ethyl]thio]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-9-3-2-4-10(7-9)13-11(14)8-17-6-5-12(15)16/h2-4,7H,5-6,8H2,1H3,(H,13,14)(H,15,16)/p-1