ethyl 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)piperidine-1-carboxylic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)C(=O)OCC)OCC

InChI

InChI=1S/C20H27N3O5S/c1-4-26-16-11-14-15(12-17(16)27-5-2)21-19(29)23(18(14)24)13-7-9-22(10-8-13)20(25)28-6-3/h11-13H,4-10H2,1-3H3,(H,21,29)