methyl 2-cyano-4-isothiocyanato-benzoate

Systemtic Name: methyl 2-cyano-4-isothiocyanato-benzoate Openeye Name: methyl 2-cyano-4-isothiocyanato-benzoate CAS Name: 2-cyano-4-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-isothiocyanatobenzoate Traditional Name: 2-cyano-4-isothiocyanato-benzoic acid methyl ester Formula: C10H6N2O2S MolecularWeight: 218.23184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N=C=S)C#N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N=C=S)C#N

InChI

InChI=1S/C10H6N2O2S/c1-14-10(13)9-3-2-8(12-6-15)4-7(9)5-11/h2-4H,1H3