(E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethyl-4-pyrazolyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pent-4-enoate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N3O2S/c1-11-14(12(2)21(3)20-11)10-13(8-9-17(22)23)18-19-15-6-4-5-7-16(15)24-18/h4-7,10H,8-9H2,1-3H3,(H,22,23)/p-1/b13-10+