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

Systemtic Name: methyl 2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(o-tolylmethylsulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(2-methylphenyl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylphenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-methylbenzyl)thio]-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H25N3O5S2/c1-17-5-3-4-6-20(17)16-35-26-28-23-15-19(25(31)34-2)9-12-22(23)24(30)29(26)14-13-18-7-10-21(11-8-18)36(27,32)33/h3-12,15H,13-14,16H2,1-2H3,(H2,27,32,33)