2-[3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-keto-quinazolin-2-yl]thio]acetate Formula: C19H18N3O5S2- MolecularWeight: 432.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C19H19N3O5S2/c1-12-8-9-13(29(26,27)21(2)3)10-16(12)22-18(25)14-6-4-5-7-15(14)20-19(22)28-11-17(23)24/h4-10H,11H2,1-3H3,(H,23,24)/p-1