methyl 4-oxidanylidene-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[(4-sulfamoylphenyl)methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-sulfamoylbenzyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H15N3O5S2/c1-25-16(22)11-4-7-13-14(8-11)19-17(26)20(15(13)21)9-10-2-5-12(6-3-10)27(18,23)24/h2-8H,9H2,1H3,(H,19,26)(H2,18,23,24)