ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-2-32-23(29)25-12-10-17(11-13-25)26-21(28)19-8-3-4-9-20(19)24-22(26)33-15-16-6-5-7-18(14-16)27(30)31/h3-9,14,17H,2,10-13,15H2,1H3