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

Systemtic Name: ethyl 3-nitro-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)carbonyl]benzoate Openeye Name: ethyl 3-nitro-5-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoate CAS Name: 3-nitro-5-[oxo-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoate Traditional Name: 3-nitro-5-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid ethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2C4=CC=CC=C4)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=C(C2C4=CC=CC=C4)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-2-30-23(27)17-12-16(13-18(14-17)25(28)29)22(26)24-10-8-20-19(9-11-31-20)21(24)15-6-4-3-5-7-15/h3-7,9,11-14,21H,2,8,10H2,1H3