4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propoxy]-3-(morpholin-4-ylmethyl)benzoic acid

Systemtic Name: 4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propoxy]-3-(morpholin-4-ylmethyl)benzoic acid Openeye Name: 4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thienyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propoxy]-3-(morpholinomethyl)benzoic acid CAS Name: 4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thiophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propoxy]-3-(4-morpholinylmethyl)benzoic acid IUPAC Name: 4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propoxy]-3-(morpholin-4-ylmethyl)benzoic acid Traditional Name: 4-[3-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thienyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propoxy]-3-(morpholinomethyl)benzoic acid Formula: C31H26F6N2O5S3 MolecularWeight: 716.733959

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C=CC(=C2)C(=O)O)OCCCN3C(=O)C(=CC4=CC(=CS4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)SC3=S

Isomeric SMILES

C1COCCN1CC2=C(C=CC(=C2)C(=O)O)OCCCN3C(=O)/C(=C/C4=CC(=CS4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)/SC3=S

InChI

InChI=1S/C31H26F6N2O5S3/c32-30(33,34)22-11-19(12-23(14-22)31(35,36)37)21-13-24(46-17-21)15-26-27(40)39(29(45)47-26)4-1-7-44-25-3-2-18(28(41)42)10-20(25)16-38-5-8-43-9-6-38/h2-3,10-15,17H,1,4-9,16H2,(H,41,42)/b26-15-