methyl 2-isothiocyanatobenzoate

Systemtic Name: methyl 2-isothiocyanatobenzoate Openeye Name: methyl 2-isothiocyanatobenzoate CAS Name: 2-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-isothiocyanatobenzoate Traditional Name: 2-isothiocyanatobenzoic acid methyl ester Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N=C=S

Isomeric SMILES

COC(=O)C1=CC=CC=C1N=C=S

InChI

InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3