methyl 4,5-dimethoxy-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[3-[(benzylthio)methyl]benzofuran-2-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C27H25NO6S MolecularWeight: 491.5555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H25NO6S/c1-31-23-13-19(27(30)33-3)21(14-24(23)32-2)28-26(29)25-20(18-11-7-8-12-22(18)34-25)16-35-15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,28,29)