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

Systemtic Name: methyl (2S)-2-isothiocyanato-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-isothiocyanato-4-methylsulfanyl-butanoate CAS Name: (2S)-2-isothiocyanato-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-isothiocyanato-4-methylsulfanylbutanoate Traditional Name: (2S)-2-isothiocyanato-4-(methylthio)butyric acid methyl ester Formula: C7H11NO2S2 MolecularWeight: 205.29774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO2S2/c1-10-7(9)6(8-5-11)3-4-12-2/h6H,3-4H2,1-2H3/t6-/m0/s1