4-[(E)-2-(1,3-benzothiazol-2-yl)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-6-oxidanyl-6-oxidanylidene-hex-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-6-hydroxy-6-oxo-hex-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-6-hydroxy-6-oxohex-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-6-hydroxy-6-oxohex-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-6-hydroxy-6-keto-hex-1-enyl]benzoic acid Formula: C20H17NO4S MolecularWeight: 367.41828

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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)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)C(=O)O)/CCCC(=O)O

InChI

InChI=1S/C20H17NO4S/c22-18(23)7-3-4-15(12-13-8-10-14(11-9-13)20(24)25)19-21-16-5-1-2-6-17(16)26-19/h1-2,5-6,8-12H,3-4,7H2,(H,22,23)(H,24,25)/b15-12+