methyl 2-(4-isothiocyanatophenyl)ethanoate

Systemtic Name: methyl 2-(4-isothiocyanatophenyl)ethanoate Openeye Name: methyl 2-(4-isothiocyanatophenyl)acetate CAS Name: 2-(4-isothiocyanatophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-isothiocyanatophenyl)acetate Traditional Name: 2-(4-isothiocyanatophenyl)acetic acid methyl ester Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)N=C=S

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)N=C=S

InChI

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