methyl 3-isothiocyanatobenzoate

Systemtic Name: methyl 3-isothiocyanatobenzoate Openeye Name: methyl 3-isothiocyanatobenzoate CAS Name: 3-isothiocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-isothiocyanatobenzoate Traditional Name: 3-isothiocyanatobenzoic acid methyl ester Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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