dimethyl 2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[oxo-[5-[(phenylthio)methyl]-2-furanyl]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[5-[(phenylthio)methyl]-2-furoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H19NO6S MolecularWeight: 425.45436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO6S/c1-27-21(25)14-8-10-17(22(26)28-2)18(12-14)23-20(24)19-11-9-15(29-19)13-30-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,24)