phenyl 2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylethanesulfonate CAS Name: 2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S2/c1-16-11-12-20(23-15-16)25-21(26)18-9-5-6-10-19(18)24-22(25)30-13-14-31(27,28)29-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3