(E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]but-3-enoic acid

Systemtic Name: (E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]but-3-enoic acid Openeye Name: (E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]but-3-enoic acid CAS Name: (E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-3-butenoic acid IUPAC Name: (E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]but-3-enoic acid Traditional Name: (E)-2-benzamido-2-phenoxy-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]but-3-enoic acid Formula: C25H17F3N2O4S MolecularWeight: 498.47369

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C=CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(/C=C/C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C25H17F3N2O4S/c26-25(27,28)17-11-12-20-19(15-17)29-21(35-20)13-14-24(23(32)33,34-18-9-5-2-6-10-18)30-22(31)16-7-3-1-4-8-16/h1-15H,(H,30,31)(H,32,33)/b14-13+