methyl 3-(isothiocyanatomethyl)benzoate

Systemtic Name: methyl 3-(isothiocyanatomethyl)benzoate Openeye Name: methyl 3-(isothiocyanatomethyl)benzoate CAS Name: 3-(isothiocyanatomethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(isothiocyanatomethyl)benzoate Traditional Name: 3-(isothiocyanatomethyl)benzoic acid methyl ester Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN=C=S

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN=C=S

InChI

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