2-ethylsulfanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid

Systemtic Name: 2-ethylsulfanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid Openeye Name: 2-ethylsulfanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid CAS Name: 2-(ethylthio)-3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 2-ethylsulfanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoic acid Traditional Name: 2-(ethylthio)-3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]propionic acid Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCSC(CC1=CC(=C(C=C1)OC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H22F3NO4S/c1-3-30-18(20(27)28)11-14-6-9-17(29-2)16(10-14)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)