ethyl 4-(3-chlorophenyl)-5,5-bis(oxidanylidene)-2-pyridin-3-yl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-(3-chlorophenyl)-5,5-bis(oxidanylidene)-2-pyridin-3-yl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)-5,5-dioxo-2-(3-pyridyl)-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5,5-dioxo-2-(3-pyridinyl)-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)-5,5-dioxo-2-pyridin-3-yl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5,5-diketo-2-(3-pyridyl)-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)S(=O)(=O)CCCC2)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)S(=O)(=O)CCCC2)C4=CN=CC=C4

InChI

InChI=1S/C23H23ClN2O4S/c1-2-30-23(27)20-19(15-7-5-9-17(24)13-15)22-18(10-3-4-12-31(22,28)29)26-21(20)16-8-6-11-25-14-16/h5-9,11,13-14,19,26H,2-4,10,12H2,1H3