methyl (E)-3-oxidanyl-2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-oxidanyl-2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-hydroxy-2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]prop-2-enoate CAS Name: (E)-3-hydroxy-2-[2-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-hydroxy-2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-3-hydroxy-2-[2-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]phenyl]acrylic acid methyl ester Formula: C19H14F3NO3S2 MolecularWeight: 425.44457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CO)C1=CC=CC=C1CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)/C(=C/O)/C1=CC=CC=C1CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3NO3S2/c1-26-17(25)14(9-24)13-5-3-2-4-11(13)10-27-18-23-15-8-12(19(20,21)22)6-7-16(15)28-18/h2-9,24H,10H2,1H3/b14-9+