tert-butyl N-[4-[3-(2-oxidanylideneethylsulfanyl)quinolin-2-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-(2-oxidanylideneethylsulfanyl)quinolin-2-yl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[3-(2-oxoethylsulfanyl)-2-quinolyl]phenyl]carbamate CAS Name: N-[4-[3-(2-oxoethylthio)-2-quinolinyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(2-oxoethylsulfanyl)quinolin-2-yl]phenyl]carbamate Traditional Name: N-[4-[3-(2-ketoethylthio)-2-quinolyl]phenyl]carbamic acid tert-butyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

InChI

InChI=1S/C22H22N2O3S/c1-22(2,3)27-21(26)23-17-10-8-15(9-11-17)20-19(28-13-12-25)14-16-6-4-5-7-18(16)24-20/h4-12,14H,13H2,1-3H3,(H,23,26)