tert-butyl N-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-ethylsulfanylpyridin-3-yl)carbonylpyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-ethylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-[[2-(ethylthio)-3-pyridinyl]-oxomethyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-ethylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-(ethylthio)nicotinoyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC(C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC(C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O3S/c1-5-24-14-13(7-6-9-18-14)15(21)20-10-8-12(11-20)19-16(22)23-17(2,3)4/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,19,22)