4-[(E)-2-(1,3-benzothiazol-2-yl)-5-oxidanidyl-5-oxidanylidene-pent-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-5-oxidanidyl-5-oxidanylidene-pent-1-enyl]benzoate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-5-oxido-5-oxo-pent-1-enyl]benzoate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-5-oxido-5-oxopent-1-enyl]benzoate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-5-oxido-5-oxopent-1-enyl]benzoate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-5-keto-5-oxido-pent-1-enyl]benzoate Formula: C19H13NO4S-2 MolecularWeight: 351.37582

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO4S/c21-17(22)10-9-14(11-12-5-7-13(8-6-12)19(23)24)18-20-15-3-1-2-4-16(15)25-18/h1-8,11H,9-10H2,(H,21,22)(H,23,24)/p-2/b14-11+