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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)but-3-enoic acid Formula: C19H17NO2S MolecularWeight: 323.40878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO2S/c1-2-13-7-9-14(10-8-13)11-15(12-18(21)22)19-20-16-5-3-4-6-17(16)23-19/h3-11H,2,12H2,1H3,(H,21,22)/b15-11+