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

Systemtic Name: methyl 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC4=C(C3)C=CS4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC4=C(C3)C=CS4)[N+](=O)[O-]

InChI

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