ethyl 1-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H23N3O4S/c1-2-26-18(25)13-6-5-10-21(12-13)16(23)9-11-22-17(24)14-7-3-4-8-15(14)20-19(22)27/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,20,27)