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

Systemtic Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C24H21N4O4S- MolecularWeight: 461.51294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N)[O-]

Isomeric SMILES

CCOC1=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/C24H22N4O4S/c1-2-32-21-11-18(28(30)31)10-17(23(21)29)13-26-24-20(12-25)19-8-9-27(15-22(19)33-24)14-16-6-4-3-5-7-16/h3-7,10-11,13,29H,2,8-9,14-15H2,1H3/p-1