2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-26-15-7-12(22(24)25)6-11(17(15)23)9-20-18-14(8-19)13-4-5-21(2)10-16(13)27-18/h6-7,9,23H,3-5,10H2,1-2H3