1,3-benzothiazol-2-ylmethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: 3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: 3-[3-(trifluoromethyl)phenyl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H12F3NO2S MolecularWeight: 363.35359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3NO2S/c19-18(20,21)13-5-3-4-12(10-13)8-9-17(23)24-11-16-22-14-6-1-2-7-15(14)25-16/h1-10H,11H2