(E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloro-3-methylpyrazol-4-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)but-3-enoate Formula: C19H19ClN3O2S- MolecularWeight: 388.89106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-3-4-9-23-18(20)14(12(2)22-23)10-13(11-17(24)25)19-21-15-7-5-6-8-16(15)26-19/h5-8,10H,3-4,9,11H2,1-2H3,(H,24,25)/p-1/b13-10+