(E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isopropylphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-p-cumenyl-but-3-enoate Formula: C20H18NO2S- MolecularWeight: 336.42742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO2S/c1-13(2)15-9-7-14(8-10-15)11-16(12-19(22)23)20-21-17-5-3-4-6-18(17)24-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b16-11+