ethyl 5-methoxy-3-[propan-2-ylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[propan-2-ylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[isopropylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[(propan-2-ylthio)-[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[propan-2-ylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate Traditional Name: 3-[(isopropylthio)-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C23H24F3NO3S MolecularWeight: 451.50177

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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)SC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3NO3S/c1-5-30-22(28)20-19(17-12-16(29-4)10-11-18(17)27-20)21(31-13(2)3)14-6-8-15(9-7-14)23(24,25)26/h6-13,21,27H,5H2,1-4H3