6-ethyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-ethyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-2-19-8-7-12-13(9-19)26-16(14(12)17(22)23)18-15(21)10-3-5-11(6-4-10)20(24)25/h3-6H,2,7-9H2,1H3,(H,18,21)(H,22,23)