tert-butyl N-[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfanyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfanyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(3-quinolylmethylsulfanyl)-1-tetrahydrofuran-2-yl-ethyl]carbamate CAS Name: N-[1-(2-oxolanyl)-2-(3-quinolinylmethylthio)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(oxolan-2-yl)-2-(quinolin-3-ylmethylsulfanyl)ethyl]carbamate Traditional Name: N-[2-(3-quinolylmethylthio)-1-(tetrahydrofuryl)ethyl]carbamic acid tert-butyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC2=CC=CC=C2N=C1)C3CCCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC2=CC=CC=C2N=C1)C3CCCO3

InChI

InChI=1S/C21H28N2O3S/c1-21(2,3)26-20(24)23-18(19-9-6-10-25-19)14-27-13-15-11-16-7-4-5-8-17(16)22-12-15/h4-5,7-8,11-12,18-19H,6,9-10,13-14H2,1-3H3,(H,23,24)