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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-4-nitro-phenolate Formula: C22H16N3O3S2- MolecularWeight: 434.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3O3S2/c26-17-10-9-14(25(27)28)11-13(17)12-23-21-20(15-5-1-3-7-18(15)29-21)22-24-16-6-2-4-8-19(16)30-22/h2,4,6,8-12,26H,1,3,5,7H2/p-1