(E)-3-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)but-3-enoate Formula: C20H21N2O2S- MolecularWeight: 353.45794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O2S/c1-12(2)22-13(3)9-15(14(22)4)10-16(11-19(23)24)20-21-17-7-5-6-8-18(17)25-20/h5-10,12H,11H2,1-4H3,(H,23,24)/p-1/b16-10+