ethyl 4-isothiocyanatobenzoate

Systemtic Name: ethyl 4-isothiocyanatobenzoate Openeye Name: ethyl 4-isothiocyanatobenzoate CAS Name: 4-isothiocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 4-isothiocyanatobenzoate Traditional Name: 4-isothiocyanatobenzoic acid ethyl ester Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3