3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]thio]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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