methyl 2-[(4-methylphenyl)carbonylamino]-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-[(4-methylphenyl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[(4-methylbenzoyl)amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylbenzoyl)amino]-3-methylsulfanylpropanoate Traditional Name: 3-(methylthio)-2-(p-toluoylamino)propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-4-6-10(7-5-9)12(15)14-11(8-18-3)13(16)17-2/h4-7,11H,8H2,1-3H3,(H,14,15)