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

Systemtic Name: methyl 3-nitro-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)carbonyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-29-22(26)16-11-15(12-17(13-16)24(27)28)21(25)23-9-7-19-18(8-10-30-19)20(23)14-5-3-2-4-6-14/h2-6,8,10-13,20H,7,9H2,1H3