tert-butyl 5-chloranyl-3-(2-ethanoylsulfanylethanoylamino)-4-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-chloranyl-3-(2-ethanoylsulfanylethanoylamino)-4-oxidanylidene-pentanoate Openeye Name: tert-butyl 3-[(2-acetylsulfanylacetyl)amino]-5-chloro-4-oxo-pentanoate CAS Name: 3-[[2-(acetylthio)-1-oxoethyl]amino]-5-chloro-4-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-acetylsulfanylacetyl)amino]-5-chloro-4-oxopentanoate Traditional Name: 3-[[2-(acetylthio)acetyl]amino]-5-chloro-4-keto-valeric acid tert-butyl ester Formula: C13H20ClNO5S MolecularWeight: 337.8196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)CCl

Isomeric SMILES

CC(=O)SCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)CCl

InChI

InChI=1S/C13H20ClNO5S/c1-8(16)21-7-11(18)15-9(10(17)6-14)5-12(19)20-13(2,3)4/h9H,5-7H2,1-4H3,(H,15,18)