ethyl 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitro-benzoate CAS Name: 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC)SC=C2

Isomeric SMILES

CCC1C2=C(CCN1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC)SC=C2

InChI

InChI=1S/C19H20N2O5S/c1-3-16-15-6-8-27-17(15)5-7-20(16)18(22)12-9-13(19(23)26-4-2)11-14(10-12)21(24)25/h6,8-11,16H,3-5,7H2,1-2H3