methyl 4-oxidanylidene-2-[(2-phenylsulfanylpyridin-3-yl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(2-phenylsulfanylpyridin-3-yl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(2-phenylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[oxo-[2-(phenylthio)-3-pyridinyl]methoxy]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(2-phenylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-(phenylthio)nicotinoyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H17N3O5S/c1-30-22(28)14-9-10-16-18(12-14)25-19(26-20(16)27)13-31-23(29)17-8-5-11-24-21(17)32-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,26,27)