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

Systemtic Name: methyl 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-nitrobenzyl)thio]-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C25H22N4O7S2 MolecularWeight: 554.59478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H22N4O7S2/c1-36-24(31)18-7-10-21-22(14-18)27-25(37-15-17-3-2-4-19(13-17)29(32)33)28(23(21)30)12-11-16-5-8-20(9-6-16)38(26,34)35/h2-10,13-14H,11-12,15H2,1H3,(H2,26,34,35)