4-[(E)-2-(1,3-benzothiazol-2-yl)-4-oxidanyl-4-oxidanylidene-but-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-4-oxidanyl-4-oxidanylidene-but-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-4-hydroxy-4-oxo-but-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-4-hydroxy-4-oxobut-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-4-hydroxy-4-oxobut-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-4-hydroxy-4-keto-but-1-enyl]benzoic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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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)/b13-9+