methyl 5-isothiocyanato-2-(1,3-oxazol-2-yl)benzoate

Systemtic Name: methyl 5-isothiocyanato-2-(1,3-oxazol-2-yl)benzoate Openeye Name: methyl 5-isothiocyanato-2-oxazol-2-yl-benzoate CAS Name: 5-isothiocyanato-2-(2-oxazolyl)benzoic acid methyl ester IUPAC Name: methyl 5-isothiocyanato-2-(1,3-oxazol-2-yl)benzoate Traditional Name: 5-isothiocyanato-2-oxazol-2-yl-benzoic acid methyl ester Formula: C12H8N2O3S MolecularWeight: 260.26852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N=C=S)C2=NC=CO2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N=C=S)C2=NC=CO2

InChI

InChI=1S/C12H8N2O3S/c1-16-12(15)10-6-8(14-7-18)2-3-9(10)11-13-4-5-17-11/h2-6H,1H3