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

Systemtic Name: ethyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3,3,3-tris(fluoranyl)propanoate Openeye Name: ethyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propanoate CAS Name: 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate Traditional Name: 2-benzamido-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-propionic acid ethyl ester Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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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=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H20F3N3O3S/c1-4-14-12(3)30-17(15(14)11-24)26-19(20(21,22)23,18(28)29-5-2)25-16(27)13-9-7-6-8-10-13/h6-10,26H,4-5H2,1-3H3,(H,25,27)