tert-butyl N-[3-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-oxo-3-(2-pyridylmethylsulfanyl)propyl]carbamate CAS Name: N-[3-oxo-1-phenyl-4-(2-pyridinylmethylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-1-phenyl-4-(pyridin-2-ylmethylsulfanyl)butan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-3-(2-pyridylmethylthio)propyl]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(CC1=CC=CC=C1)C(=O)CSCC2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CC=N2

InChI

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