tert-butyl 2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-thiophen-2-yl-ethanoate

Systemtic Name: tert-butyl 2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-thiophen-2-yl-ethanoate Openeye Name: tert-butyl 2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-2-(2-thienyl)acetate CAS Name: 2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-2-thiophen-2-ylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-thiophen-2-ylacetate Traditional Name: 2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-2-(2-thienyl)acetic acid tert-butyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)(C1=CC=CS1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)(C1=CC=CS1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O6S/c1-18(2,3)28-15(25)21(13-22,14-11-10-12-31-14)24(17(27)30-20(7,8)9)23-16(26)29-19(4,5)6/h10-12H,1-9H3,(H,23,26)