methyl 4-methyl-3-[2-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 3-(2-benzylsulfanylpropanoylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-benzylsulfanylpropanoylamino)-4-methylbenzoate Traditional Name: 3-[2-(benzylthio)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-13-9-10-16(19(22)23-3)11-17(13)20-18(21)14(2)24-12-15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,21)