methyl (2S)-4-ethenylsulfanyl-2-(3-oxidanylidenebutanoylamino)butanoate

Systemtic Name: methyl (2S)-4-ethenylsulfanyl-2-(3-oxidanylidenebutanoylamino)butanoate Openeye Name: methyl (2S)-2-(3-oxobutanoylamino)-4-vinylsulfanyl-butanoate CAS Name: (2S)-2-(1,3-dioxobutylamino)-4-(ethenylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-ethenylsulfanyl-2-(3-oxobutanoylamino)butanoate Traditional Name: (2S)-2-(acetoacetylamino)-4-(vinylthio)butyric acid methyl ester Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)CC(=O)N[C@@H](CCSC=C)C(=O)OC

InChI

InChI=1S/C11H17NO4S/c1-4-17-6-5-9(11(15)16-3)12-10(14)7-8(2)13/h4,9H,1,5-7H2,2-3H3,(H,12,14)/t9-/m0/s1