methyl 3-(2,2-dimethoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2,2-dimethoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2,2-dimethoxyethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)OC

Isomeric SMILES

COC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S)OC

InChI

InChI=1S/C14H16N2O5S/c1-19-11(20-2)7-16-12(17)9-5-4-8(13(18)21-3)6-10(9)15-14(16)22/h4-6,11H,7H2,1-3H3,(H,15,22)