S-ethyl (2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pent-4-enethioate

Systemtic Name: S-ethyl (2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pent-4-enethioate Openeye Name: S-ethyl (2R)-2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-pent-4-enethioate CAS Name: (2R)-2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-4-pentenethioic acid S-ethyl ester IUPAC Name: S-ethyl (2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pent-4-enethioate Traditional Name: (2R)-2-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-cyano-pent-4-enethioic acid S-ethyl ester Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CC=C)(C#N)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSC(=O)[C@@](CC=C)(C#N)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H29N3O5S/c1-9-11-18(12-19,13(22)27-10-2)21(15(24)26-17(6,7)8)20-14(23)25-16(3,4)5/h9H,1,10-11H2,2-8H3,(H,20,23)/t18-/m1/s1