methyl 2-(oxan-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(oxan-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenyl-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 2-(2-oxanylmethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(oxan-2-ylmethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-3-phenyl-2-(tetrahydropyran-2-ylmethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3CCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-27-21(26)15-10-11-18-19(13-15)23-22(29-14-17-9-5-6-12-28-17)24(20(18)25)16-7-3-2-4-8-16/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3