ethyl (2S)-2-isothiocyanato-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-isothiocyanato-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-isothiocyanato-4-methylsulfanyl-butanoate CAS Name: (2S)-2-isothiocyanato-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-isothiocyanato-4-methylsulfanylbutanoate Traditional Name: (2S)-2-isothiocyanato-4-(methylthio)butyric acid ethyl ester Formula: C8H13NO2S2 MolecularWeight: 219.32432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N=C=S

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N=C=S

InChI

InChI=1S/C8H13NO2S2/c1-3-11-8(10)7(9-6-12)4-5-13-2/h7H,3-5H2,1-2H3/t7-/m0/s1