methyl 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: methyl 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Openeye Name: methyl 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propanoate CAS Name: 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate Traditional Name: 2-acetamido-2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3,3-trifluoro-propionic acid methyl ester Formula: C19H24F3N3O3S MolecularWeight: 431.47237

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N

Isomeric SMILES

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N

InChI

InChI=1S/C19H24F3N3O3S/c1-10(26)24-18(16(27)28-5,19(20,21)22)25-15-13(9-23)12-7-6-11(17(2,3)4)8-14(12)29-15/h11,25H,6-8H2,1-5H3,(H,24,26)