4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-ethenyl]benzoate

Systemtic Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-ethenyl]benzoate Openeye Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-oxido-2-oxo-ethyl)sulfanyl-vinyl]benzoate CAS Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-[(2-oxido-2-oxoethyl)thio]ethenyl]benzoate IUPAC Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-oxido-2-oxoethyl)sulfanylethenyl]benzoate Traditional Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-[(2-keto-2-oxido-ethyl)thio]vinyl]benzoate Formula: C18H11NO4S2-2 MolecularWeight: 369.41424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C(=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)C(=O)[O-])/SCC(=O)[O-]

InChI

InChI=1S/C18H13NO4S2/c20-16(21)10-24-15(9-11-5-7-12(8-6-11)18(22)23)17-19-13-3-1-2-4-14(13)25-17/h1-9H,10H2,(H,20,21)(H,22,23)/p-2/b15-9-