4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-oxidanylidene-but-1-enyl]benzoate

Systemtic Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-oxidanidyl-4-oxidanylidene-but-1-enyl]benzoate Openeye Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-oxido-4-oxo-but-1-enyl]benzoate CAS Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-oxido-4-oxobut-1-enyl]benzoate IUPAC Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-oxido-4-oxobut-1-enyl]benzoate Traditional Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-4-keto-4-oxido-but-1-enyl]benzoate Formula: C18H11NO4S-2 MolecularWeight: 337.34924

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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-])CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO4S/c20-16(21)10-13(9-11-5-7-12(8-6-11)18(22)23)17-19-14-3-1-2-4-15(14)24-17/h1-9H,10H2,(H,20,21)(H,22,23)/p-2/b13-9-