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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Formula: C19H19N2O6S- MolecularWeight: 403.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O6S/c1-3-27-19(23)16-13-6-4-5-7-15(13)28-18(16)20-10-11-8-12(26-2)9-14(17(11)22)21(24)25/h8-10,22H,3-7H2,1-2H3/p-1