(E)-5-(1,3-benzothiazol-2-yl)-6-thiophen-3-yl-hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-thiophen-3-yl-hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-thienyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-thiophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-thiophen-3-ylhex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-thienyl)hex-5-enoic acid Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CSC=C3)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S2/c19-16(20)7-3-4-13(10-12-8-9-21-11-12)17-18-14-5-1-2-6-15(14)22-17/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)/b13-10+