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

Systemtic Name: 3-[[2-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thienyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thiophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-thienyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetyl]amino]methyl]benzoic acid Formula: C26H16F6N2O4S3 MolecularWeight: 630.601659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)CN2C(=O)C(=CC3=CC(=CS3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)SC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)CN2C(=O)/C(=C/C3=CC(=CS3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)/SC2=S)C(=O)O

InChI

InChI=1S/C26H16F6N2O4S3/c27-25(28,29)17-5-15(6-18(8-17)26(30,31)32)16-7-19(40-12-16)9-20-22(36)34(24(39)41-20)11-21(35)33-10-13-2-1-3-14(4-13)23(37)38/h1-9,12H,10-11H2,(H,33,35)(H,37,38)/b20-9-