ethyl 4-(2-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-(2-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-(2-chlorophenyl)-5,5-dioxo-2-(3-pyridyl)-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate CAS Name: 4-(2-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-(2-chlorophenyl)-5,5-dioxo-2-pyridin-3-yl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Traditional Name: 4-(2-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=C3Cl)S(=O)(=O)CCCC2)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Cl)S(=O)(=O)CCCC2)C4=CN=CC=C4

InChI

InChI=1S/C23H23ClN2O4S/c1-2-30-23(27)20-19(16-9-3-4-10-17(16)24)22-18(11-5-6-13-31(22,28)29)26-21(20)15-8-7-12-25-14-15/h3-4,7-10,12,14,19,26H,2,5-6,11,13H2,1H3