methyl 4,5-dimethoxy-2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[5-[(phenylthio)methyl]-2-furanyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[5-[(phenylthio)methyl]-2-furoyl]amino]benzoic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(O2)CSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(O2)CSC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21NO6S/c1-26-19-11-16(22(25)28-3)17(12-20(19)27-2)23-21(24)18-10-9-14(29-18)13-30-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,24)