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

Systemtic Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)-2-[(2-fluorophenyl)carbonylamino]propanoate Openeye Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate CAS Name: (2R)-2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoro-2-[[(2-fluorophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propanoate Traditional Name: (2R)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]propionic acid ethyl ester Formula: C20H19F4N3O3S MolecularWeight: 457.441773

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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)C2=CC=CC=C2F)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)N[C@](C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C20H19F4N3O3S/c1-4-12-11(3)31-17(14(12)10-25)27-19(20(22,23)24,18(29)30-5-2)26-16(28)13-8-6-7-9-15(13)21/h6-9,27H,4-5H2,1-3H3,(H,26,28)/t19-/m1/s1