methyl 2-[2-azanyl-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-azanyl-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)-1-pyridyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H19F6N3O2S MolecularWeight: 479.439179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1C2=C(C3=C(S2)CCCCC3)C(=O)OC)N)C#N)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(C(=C(N1C2=C(C3=C(S2)CCCCC3)C(=O)OC)N)C#N)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3O2S/c1-10-8-18(19(21,22)23,20(24,25)26)12(9-27)15(28)29(10)16-14(17(30)31-2)11-6-4-3-5-7-13(11)32-16/h8H,3-7,28H2,1-2H3