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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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