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

Systemtic Name: 2-[[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Formula: C24H17N4O5S2- MolecularWeight: 505.54558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H18N4O5S2/c1-14(29)15-2-4-17(5-3-15)26-23(31)13-34-24-27-20-8-6-18(11-22(20)35-24)25-12-16-10-19(28(32)33)7-9-21(16)30/h2-12,30H,13H2,1H3,(H,26,31)/p-1