(E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)pent-4-enoic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2O2S/c1-13(2)23-14(3)11-17(15(23)4)12-16(9-10-20(24)25)21-22-18-7-5-6-8-19(18)26-21/h5-8,11-13H,9-10H2,1-4H3,(H,24,25)/b16-12+