tert-butyl N-[2-oxidanylidene-4-phenyl-1-(pyridin-2-ylmethylsulfanyl)butyl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-4-phenyl-1-(pyridin-2-ylmethylsulfanyl)butyl]carbamate Openeye Name: tert-butyl N-[2-oxo-4-phenyl-1-(2-pyridylmethylsulfanyl)butyl]carbamate CAS Name: N-[2-oxo-4-phenyl-1-(2-pyridinylmethylthio)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-4-phenyl-1-(pyridin-2-ylmethylsulfanyl)butyl]carbamate Traditional Name: N-[2-keto-4-phenyl-1-(2-pyridylmethylthio)butyl]carbamic acid tert-butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)CCC1=CC=CC=C1)SCC2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)CCC1=CC=CC=C1)SCC2=CC=CC=N2

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)26-20(25)23-19(27-15-17-11-7-8-14-22-17)18(24)13-12-16-9-5-4-6-10-16/h4-11,14,19H,12-13,15H2,1-3H3,(H,23,25)