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

Systemtic Name: ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)propanoate Openeye Name: ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate CAS Name: 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate Traditional Name: 2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(carbethoxyamino)-3,3,3-trifluoro-propionic acid ethyl ester Formula: C21H28F3N3O4S MolecularWeight: 475.52493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28F3N3O4S/c1-6-30-17(28)20(21(22,23)24,27-18(29)31-7-2)26-16-14(11-25)13-9-8-12(19(3,4)5)10-15(13)32-16/h12,26H,6-10H2,1-5H3,(H,27,29)