2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C23H19N4O4S- MolecularWeight: 447.48636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-31-20-10-17(27(29)30)9-16(22(20)28)12-25-23-19(11-24)18-7-8-26(14-21(18)32-23)13-15-5-3-2-4-6-15/h2-6,9-10,12,28H,7-8,13-14H2,1H3/p-1