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

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-keto-2-thioxo-1H-quinazolin-3-yl)acetyl]nipecotic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C18H21N3O4S/c1-2-25-17(24)12-6-5-9-20(10-12)15(22)11-21-16(23)13-7-3-4-8-14(13)19-18(21)26/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,26)