methyl 2-(5-isothiocyanato-2-methyl-phenoxy)propanoate

Systemtic Name: methyl 2-(5-isothiocyanato-2-methyl-phenoxy)propanoate Openeye Name: methyl 2-(5-isothiocyanato-2-methyl-phenoxy)propanoate CAS Name: 2-(5-isothiocyanato-2-methylphenoxy)propanoic acid methyl ester IUPAC Name: methyl 2-(5-isothiocyanato-2-methylphenoxy)propanoate Traditional Name: 2-(5-isothiocyanato-2-methyl-phenoxy)propionic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=S)OC(C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=S)OC(C)C(=O)OC

InChI

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