methyl 3-(4-methylphenyl)-3-(2-methylsulfanylethanoylamino)propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-3-(2-methylsulfanylethanoylamino)propanoate Openeye Name: methyl 3-[(2-methylsulfanylacetyl)amino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-3-[[2-(methylthio)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-3-[(2-methylsulfanylacetyl)amino]propanoate Traditional Name: 3-[[2-(methylthio)acetyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10-4-6-11(7-5-10)12(8-14(17)18-2)15-13(16)9-19-3/h4-7,12H,8-9H2,1-3H3,(H,15,16)