methyl 4,5-dimethoxy-2-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 2-(3-benzylsulfanylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfanylpropanoylamino)-4,5-dimethoxybenzoate Traditional Name: 2-[3-(benzylthio)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H23NO5S/c1-24-17-11-15(20(23)26-3)16(12-18(17)25-2)21-19(22)9-10-27-13-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)