ethyl 4-isothiocyanato-3-methyl-benzoate

Systemtic Name: ethyl 4-isothiocyanato-3-methyl-benzoate Openeye Name: ethyl 4-isothiocyanato-3-methyl-benzoate CAS Name: 4-isothiocyanato-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-isothiocyanato-3-methylbenzoate Traditional Name: 4-isothiocyanato-3-methyl-benzoic acid ethyl ester Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S/c1-3-14-11(13)9-4-5-10(12-7-15)8(2)6-9/h4-6H,3H2,1-2H3