2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(2-morpholino-2-oxo-ethyl)sulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C14H14F3NO4S MolecularWeight: 349.32547

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H14F3NO4S/c15-14(16,17)9-1-2-11(10(7-9)13(20)21)23-8-12(19)18-3-5-22-6-4-18/h1-2,7H,3-6,8H2,(H,20,21)