tert-butyl N-[1-(6-propylsulfanylpyridin-3-yl)carbonylpyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(6-propylsulfanylpyridin-3-yl)carbonylpyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(6-propylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-[oxo-[6-(propylthio)-3-pyridinyl]methyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(6-propylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[6-(propylthio)nicotinoyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C=C1)C(=O)N2CCC(C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCSC1=NC=C(C=C1)C(=O)N2CCC(C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O3S/c1-5-10-25-15-7-6-13(11-19-15)16(22)21-9-8-14(12-21)20-17(23)24-18(2,3)4/h6-7,11,14H,5,8-10,12H2,1-4H3,(H,20,23)