methyl 2-(4-isothiocyanato-2-methyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(4-isothiocyanato-2-methyl-phenoxy)ethanoate Openeye Name: methyl 2-(4-isothiocyanato-2-methyl-phenoxy)acetate CAS Name: 2-(4-isothiocyanato-2-methylphenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(4-isothiocyanato-2-methylphenoxy)acetate Traditional Name: 2-(4-isothiocyanato-2-methyl-phenoxy)acetic acid methyl ester Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S/c1-8-5-9(12-7-16)3-4-10(8)15-6-11(13)14-2/h3-5H,6H2,1-2H3