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

Systemtic Name: ethyl 3-methyl-4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-(2-benzylsulfanylpropanoylamino)-3-methyl-benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylpropanoylamino)-3-methylbenzoate Traditional Name: 4-[2-(benzylthio)propanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3S/c1-4-24-20(23)17-10-11-18(14(2)12-17)21-19(22)15(3)25-13-16-8-6-5-7-9-16/h5-12,15H,4,13H2,1-3H3,(H,21,22)