methyl 2-[2-(4-methylphenyl)sulfonylethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(4-methylphenyl)sulfonylethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[2-(p-tolylsulfonyl)ethyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[2-(4-methylphenyl)sulfonylethyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylphenyl)sulfonylethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(2-tosylethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N2O5S/c1-12-3-6-14(7-4-12)27(24,25)10-9-17-20-16-11-13(19(23)26-2)5-8-15(16)18(22)21-17/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)