2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[(2-carbethoxy-5-methoxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]thio]acetic acid Formula: C22H20F3NO5S MolecularWeight: 467.45811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)C(F)(F)F)SCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)C(F)(F)F)SCC(=O)O

InChI

InChI=1S/C22H20F3NO5S/c1-3-31-21(29)19-18(15-10-14(30-2)8-9-16(15)26-19)20(32-11-17(27)28)12-4-6-13(7-5-12)22(23,24)25/h4-10,20,26H,3,11H2,1-2H3,(H,27,28)