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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-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-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Formula: C25H23N2O5S- MolecularWeight: 463.52552

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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-])CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-2-32-25(29)22-19-10-6-7-11-21(19)33-24(22)26-15-18-13-17(12-16-8-4-3-5-9-16)14-20(23(18)28)27(30)31/h3-5,8-9,13-15,28H,2,6-7,10-12H2,1H3/p-1