(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-oxido-2-oxo-ethoxy)phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-oxido-2-oxoethoxy)phenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-oxido-2-oxoethoxy)phenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-keto-2-oxido-ethoxy)phenyl]pent-4-enoate Formula: C20H15NO5S-2 MolecularWeight: 381.4018

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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-])CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S/c22-18(23)10-7-14(20-21-16-3-1-2-4-17(16)27-20)11-13-5-8-15(9-6-13)26-12-19(24)25/h1-6,8-9,11H,7,10,12H2,(H,22,23)(H,24,25)/p-2/b14-11+