methyl 2-(4-chlorophenyl)-2-thiocyanato-ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-thiocyanato-ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-thiocyanato-acetate CAS Name: 2-(4-chlorophenyl)-2-thiocyanatoacetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-thiocyanatoacetate Traditional Name: 2-(4-chlorophenyl)-2-thiocyanato-acetic acid methyl ester Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)SC#N

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)SC#N

InChI

InChI=1S/C10H8ClNO2S/c1-14-10(13)9(15-6-12)7-2-4-8(11)5-3-7/h2-5,9H,1H3