methyl 4,5-dimethyl-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiophene-3-carboxylate Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)N2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)N2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C16H14N2O3S2/c1-8-9(2)23-14(12(8)15(20)21-3)18-13(19)10-6-4-5-7-11(10)17-16(18)22/h4-7H,1-3H3,(H,17,22)