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

Systemtic Name: ethyl 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-5-nitro-benzoate Openeye Name: ethyl 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitro-benzoate CAS Name: 3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitrobenzoate Traditional Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-2-24-17(21)13-7-12(8-14(9-13)19(22)23)16(20)18-5-3-15-11(10-18)4-6-25-15/h4,6-9H,2-3,5,10H2,1H3