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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3,5-trimethyl-4-pyrazolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)but-3-enoate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-10-13(11(2)20(3)19-10)8-12(9-16(21)22)17-18-14-6-4-5-7-15(14)23-17/h4-8H,9H2,1-3H3,(H,21,22)/p-1/b12-8+