tert-butyl N-[(2S)-1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4,6-dimethyl-2-pyridyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-[(4,6-dimethyl-2-pyridinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4,6-dimethyl-2-pyridyl)carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=O)C(CCSC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H27N3O3S/c1-11-9-12(2)18-14(10-11)20-15(21)13(7-8-24-6)19-16(22)23-17(3,4)5/h9-10,13H,7-8H2,1-6H3,(H,19,22)(H,18,20,21)/t13-/m0/s1