(E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-oxido-2-oxo-ethoxy)phenyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-oxido-2-oxoethoxy)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-oxido-2-oxoethoxy)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-keto-2-oxido-ethoxy)phenyl]but-3-enoate Formula: C19H13NO5S-2 MolecularWeight: 367.37522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO5S/c21-17(22)10-13(19-20-15-3-1-2-4-16(15)26-19)9-12-5-7-14(8-6-12)25-11-18(23)24/h1-9H,10-11H2,(H,21,22)(H,23,24)/p-2/b13-9+