tert-butyl N-[4-cyano-4-(5-cyanothiophen-2-yl)-1-(5-methylhexyl)pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-cyano-4-(5-cyanothiophen-2-yl)-1-(5-methylhexyl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[4-cyano-4-(5-cyano-2-thienyl)-1-(5-methylhexyl)pyrrolidin-3-yl]carbamate CAS Name: N-[4-cyano-4-(5-cyano-2-thiophenyl)-1-(5-methylhexyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-cyano-4-(5-cyanothiophen-2-yl)-1-(5-methylhexyl)pyrrolidin-3-yl]carbamate Traditional Name: N-[4-cyano-4-(5-cyano-2-thienyl)-1-(5-methylhexyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN1CC(C(C1)(C#N)C2=CC=C(S2)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCCN1CC(C(C1)(C#N)C2=CC=C(S2)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N4O2S/c1-16(2)8-6-7-11-26-13-18(25-20(27)28-21(3,4)5)22(14-24,15-26)19-10-9-17(12-23)29-19/h9-10,16,18H,6-8,11,13,15H2,1-5H3,(H,25,27)