ethyl 5-acetyloxy-6-bromanyl-2-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H19BrF3N3O4S MolecularWeight: 570.37887

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

InChI

InChI=1S/C23H19BrF3N3O4S/c1-5-33-22(32)20-13-7-19(34-12(3)31)16(24)8-17(13)30(4)18(20)10-35-21-14(9-28)15(23(25,26)27)6-11(2)29-21/h6-8H,5,10H2,1-4H3