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

Systemtic Name: methyl 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)14-12(15)9-18-8-7-13(16)17-2/h3-6H,7-9H2,1-2H3,(H,14,15)