(4-methylphenyl) 2-isothiocyanatoethanoate

Systemtic Name: (4-methylphenyl) 2-isothiocyanatoethanoate Openeye Name: p-tolyl 2-isothiocyanatoacetate CAS Name: 2-isothiocyanatoacetic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-isothiocyanatoacetate Traditional Name: 2-isothiocyanatoacetic acid p-tolyl ester Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CN=C=S

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CN=C=S

InChI

InChI=1S/C10H9NO2S/c1-8-2-4-9(5-3-8)13-10(12)6-11-7-14/h2-5H,6H2,1H3