(E)-4-(1,3-benzothiazol-2-yl)but-3-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)but-3-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)but-3-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-3-butenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)but-3-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)but-3-enoic acid Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-6H,7H2,(H,13,14)/b6-3+