(E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenylpyrazol-4-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pent-4-enoate Formula: C23H20N3O2S- MolecularWeight: 402.4888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O2S/c1-15-19(16(2)26(25-15)18-8-4-3-5-9-18)14-17(12-13-22(27)28)23-24-20-10-6-7-11-21(20)29-23/h3-11,14H,12-13H2,1-2H3,(H,27,28)/p-1/b17-14+