ethyl 2-methyl-3-thiocyanato-benzoate

Systemtic Name: ethyl 2-methyl-3-thiocyanato-benzoate Openeye Name: ethyl 2-methyl-3-thiocyanato-benzoate CAS Name: 2-methyl-3-thiocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-thiocyanatobenzoate Traditional Name: 2-methyl-3-thiocyanato-benzoic acid ethyl ester Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)SC#N)C

InChI

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