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

Systemtic Name: tert-butyl N-[4-[3-bromanyl-2-(2-oxidanylideneethylsulfanyl)quinolin-4-yl]phenyl]-N-pyrrolidin-3-yl-carbamate Openeye Name: tert-butyl N-[4-[3-bromo-2-(2-oxoethylsulfanyl)-4-quinolyl]phenyl]-N-pyrrolidin-3-yl-carbamate CAS Name: N-[4-[3-bromo-2-(2-oxoethylthio)-4-quinolinyl]phenyl]-N-(3-pyrrolidinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-bromo-2-(2-oxoethylsulfanyl)quinolin-4-yl]phenyl]-N-pyrrolidin-3-ylcarbamate Traditional Name: N-[4-[3-bromo-2-(2-ketoethylthio)-4-quinolyl]phenyl]-N-pyrrolidin-3-yl-carbamic acid tert-butyl ester Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCNC1)C2=CC=C(C=C2)C3=C(C(=NC4=CC=CC=C43)SCC=O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCNC1)C2=CC=C(C=C2)C3=C(C(=NC4=CC=CC=C43)SCC=O)Br

InChI

InChI=1S/C26H28BrN3O3S/c1-26(2,3)33-25(32)30(19-12-13-28-16-19)18-10-8-17(9-11-18)22-20-6-4-5-7-21(20)29-24(23(22)27)34-15-14-31/h4-11,14,19,28H,12-13,15-16H2,1-3H3