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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCSCC2=CC=CC=C2)C(=O)OC

InChI

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