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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(p-tolylsulfonylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(tosylmethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O5S/c1-11-3-6-13(7-4-11)26(23,24)10-16-19-15-9-12(18(22)25-2)5-8-14(15)17(21)20-16/h3-9H,10H2,1-2H3,(H,19,20,21)