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

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H18N4O5S2/c1-29-19(26)14-4-7-16-17(12-14)23-20(30-11-9-21)24(18(16)25)10-8-13-2-5-15(6-3-13)31(22,27)28/h2-7,12H,8,10-11H2,1H3,(H2,22,27,28)