(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(5-morpholinosulfonyl-2-thienyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: (E)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(5-morpholinosulfonyl-2-thienyl)-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C18H16F3NO5S2 MolecularWeight: 447.44855

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/C(=O)O

InChI

InChI=1S/C18H16F3NO5S2/c19-18(20,21)13-3-1-12(2-4-13)11-14(17(23)24)15-5-6-16(28-15)29(25,26)22-7-9-27-10-8-22/h1-6,11H,7-10H2,(H,23,24)/b14-11-