ethyl 2-isothiocyanato-3-methylsulfanyl-propanoate

Systemtic Name: ethyl 2-isothiocyanato-3-methylsulfanyl-propanoate Openeye Name: ethyl 2-isothiocyanato-3-methylsulfanyl-propanoate CAS Name: 2-isothiocyanato-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-3-methylsulfanylpropanoate Traditional Name: 2-isothiocyanato-3-(methylthio)propionic acid ethyl ester Formula: C7H11NO2S2 MolecularWeight: 205.29774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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