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

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methylthiophen-2-yl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methyl-2-thienyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methyl-2-thiophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methylthiophen-2-yl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(3-methyl-2-thienyl)hex-5-enoic acid Formula: C18H17NO2S2 MolecularWeight: 343.46308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(CCCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(SC=C1)/C=C(\CCCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO2S2/c1-12-9-10-22-16(12)11-13(5-4-8-17(20)21)18-19-14-6-2-3-7-15(14)23-18/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,20,21)/b13-11+