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

Systemtic Name: methyl 2-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-(methylthio)nicotinoyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-25-17(23)10-5-6-11-13(8-10)20-14(21-15(11)22)9-26-18(24)12-4-3-7-19-16(12)27-2/h3-8H,9H2,1-2H3,(H,20,21,22)