methyl 2-(4-isothiocyanato-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(4-isothiocyanato-2,6-dimethyl-phenoxy)ethanoate Openeye Name: methyl 2-(4-isothiocyanato-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-isothiocyanato-2,6-dimethylphenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(4-isothiocyanato-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-isothiocyanato-2,6-dimethyl-phenoxy)acetic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC)C)N=C=S

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC)C)N=C=S

InChI

InChI=1S/C12H13NO3S/c1-8-4-10(13-7-17)5-9(2)12(8)16-6-11(14)15-3/h4-5H,6H2,1-3H3