diethyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C22H21N3O7S2 MolecularWeight: 503.54804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7S2/c1-3-31-21(27)18-14-7-8-24(22(28)32-4-2)11-17(14)34-20(18)23-19(26)16-10-12-9-13(25(29)30)5-6-15(12)33-16/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,23,26)