2-ethoxy-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-ethoxy-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-ethoxy-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-ethoxy-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-ethoxy-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C20H21N2O6S- MolecularWeight: 417.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C(=O)OCC)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C(=O)OCC)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-3-27-15-10-13(22(25)26)9-12(18(15)23)11-21-19-17(20(24)28-4-2)14-7-5-6-8-16(14)29-19/h9-11,23H,3-8H2,1-2H3/p-1