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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)pent-4-enoate Formula: C21H23N2O2S- MolecularWeight: 367.48452

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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)/p-1/b16-12+