1,3-benzothiazol-2-ylmethyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H14ClN3O2S MolecularWeight: 347.81926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C16H14ClN3O2S/c1-10-11(16(17)20(2)19-10)7-8-15(21)22-9-14-18-12-5-3-4-6-13(12)23-14/h3-8H,9H2,1-2H3/b8-7+