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

Systemtic Name: methyl 3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)carbonyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-3-15-14-5-7-26-16(14)4-6-19(15)17(21)11-8-12(18(22)25-2)10-13(9-11)20(23)24/h5,7-10,15H,3-4,6H2,1-2H3