ethyl 1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]nipecotic acid ethyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C23H22ClN3O4S/c1-2-31-22(30)15-6-4-10-26(13-15)20(28)14-5-3-7-17(11-14)27-21(29)18-9-8-16(24)12-19(18)25-23(27)32/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,25,32)