methyl 3-[(1R,2R)-2-methylcyclohexyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(1R,2R)-2-methylcyclohexyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(1R,2R)-2-methylcyclohexyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(1R,2R)-2-methylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1R,2R)-2-methylcyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[(1R,2R)-2-methylcyclohexyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

C[C@@H]1CCCC[C@H]1N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C17H20N2O3S/c1-10-5-3-4-6-14(10)19-15(20)12-8-7-11(16(21)22-2)9-13(12)18-17(19)23/h7-10,14H,3-6H2,1-2H3,(H,18,23)/t10-,14-/m1/s1