2-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[(2-methoxy-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(2-methoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-[(2-keto-2-methoxy-ethyl)thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Formula: C17H12N3O5S2- MolecularWeight: 402.42428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-25-16(22)9-26-17-19-13-4-2-11(7-15(13)27-17)18-8-10-6-12(20(23)24)3-5-14(10)21/h2-8,21H,9H2,1H3/p-1