O4-ethyl O1-(phenylmethyl) (2R,3R)-2-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-yl-butanedioate

Systemtic Name: O4-ethyl O1-(phenylmethyl) (2R,3R)-2-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-yl-butanedioate Openeye Name: O1-benzyl O4-ethyl (2R,3R)-3-(tert-butoxycarbonylamino)-2-cyano-2-(2-thienyl)butanedioate CAS Name: (2R,3R)-2-cyano-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophen-2-ylbutanedioic acid O4-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-ethyl (2R,3R)-2-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylbutanedioate Traditional Name: (2R,3R)-3-(tert-butoxycarbonylamino)-2-cyano-2-(2-thienyl)succinic acid O1-benzyl ester O4-ethyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#N)(C1=CC=CS1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H]([C@](C#N)(C1=CC=CS1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H26N2O6S/c1-5-29-19(26)18(25-21(28)31-22(2,3)4)23(15-24,17-12-9-13-32-17)20(27)30-14-16-10-7-6-8-11-16/h6-13,18H,5,14H2,1-4H3,(H,25,28)/t18-,23-/m0/s1