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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)15-12-7-3-4-9-14(12)26-17(15)19-10-11-6-5-8-13(16(11)21)20(23)24/h5-6,8,10,21H,2-4,7,9H2,1H3/p-1