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

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c24-19(22-5-3-18-15(12-22)4-10-30-18)13-29-20(25)14-1-2-16(17(11-14)23(26)27)21-6-8-28-9-7-21/h1-2,4,10-11H,3,5-9,12-13H2