methyl 4-oxidanylidene-2-phenacylsulfanyl-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-phenacylsulfanyl-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-phenacylsulfanyl-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 4-oxo-2-(phenacylthio)-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-phenacylsulfanyl-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 4-keto-2-(phenacylthio)-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C26H23N3O6S2 MolecularWeight: 537.60732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H23N3O6S2/c1-35-25(32)19-9-12-21-22(15-19)28-26(36-16-23(30)18-5-3-2-4-6-18)29(24(21)31)14-13-17-7-10-20(11-8-17)37(27,33)34/h2-12,15H,13-14,16H2,1H3,(H2,27,33,34)