(3-isothiocyanatophenyl) ethanoate

Systemtic Name: (3-isothiocyanatophenyl) ethanoate Openeye Name: (3-isothiocyanatophenyl) acetate CAS Name: acetic acid (3-isothiocyanatophenyl) ester IUPAC Name: (3-isothiocyanatophenyl) acetate Traditional Name: acetic acid (3-isothiocyanatophenyl) ester Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N=C=S

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N=C=S

InChI

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