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

Systemtic Name: methyl 4-methyl-3-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 3-(3-benzylsulfanylpropanoylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfanylpropanoylamino)-4-methylbenzoate Traditional Name: 3-[3-(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)CCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14-8-9-16(19(22)23-2)12-17(14)20-18(21)10-11-24-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)