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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4,5-dimethoxy-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)CSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2)OC

InChI

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