ethyl (2R)-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)propanoate Openeye Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate CAS Name: (2R)-2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate Traditional Name: (2R)-2-(carbethoxyamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propionic acid ethyl ester Formula: C16H20F3N3O4S MolecularWeight: 407.40791

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)N[C@](C(=O)OCC)(C(F)(F)F)NC(=O)OCC)C

InChI

InChI=1S/C16H20F3N3O4S/c1-5-10-9(4)27-12(11(10)8-20)21-15(16(17,18)19,13(23)25-6-2)22-14(24)26-7-3/h21H,5-7H2,1-4H3,(H,22,24)/t15-/m0/s1