tert-butyl N-[1-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[4-cyano-4-(5-isocyano-2-thiophenyl)-5-methylhexyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methylhexyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]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)C(CCCN1CCC(C1)NC(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)NC(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)[N+]#[C-]

InChI

InChI=1S/C22H32N4O2S/c1-16(2)22(15-23,18-8-9-19(24-6)29-18)11-7-12-26-13-10-17(14-26)25-20(27)28-21(3,4)5/h8-9,16-17H,7,10-14H2,1-5H3,(H,25,27)