methyl 4,5-dimethoxy-2-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4,5-dimethoxy-2-[3-(phenylthio)propanoylamino]benzoic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21NO5S/c1-23-16-11-14(19(22)25-3)15(12-17(16)24-2)20-18(21)9-10-26-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)