ethyl (3S)-3-(benzotriazol-1-yl)-3-methylsulfanyl-2-oxidanylidene-butanoate

Systemtic Name: ethyl (3S)-3-(benzotriazol-1-yl)-3-methylsulfanyl-2-oxidanylidene-butanoate Openeye Name: ethyl (3S)-3-(benzotriazol-1-yl)-3-methylsulfanyl-2-oxo-butanoate CAS Name: (3S)-3-(1-benzotriazolyl)-3-(methylthio)-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-(benzotriazol-1-yl)-3-methylsulfanyl-2-oxobutanoate Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-keto-3-(methylthio)butyric acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(C)(N1C2=CC=CC=C2N=N1)SC

Isomeric SMILES

CCOC(=O)C(=O)[C@@](C)(N1C2=CC=CC=C2N=N1)SC

InChI

InChI=1S/C13H15N3O3S/c1-4-19-12(18)11(17)13(2,20-3)16-10-8-6-5-7-9(10)14-15-16/h5-8H,4H2,1-3H3/t13-/m0/s1