methyl 4-(4,5-dimethyl-3H-1,2-thiazol-2-yl)benzoate

Systemtic Name: methyl 4-(4,5-dimethyl-3H-1,2-thiazol-2-yl)benzoate Openeye Name: methyl 4-(4,5-dimethyl-3H-isothiazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-3H-isothiazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,5-dimethyl-3H-1,2-thiazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-4-isothiazolin-2-yl)benzoic acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN(C1)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(SN(C1)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C13H15NO2S/c1-9-8-14(17-10(9)2)12-6-4-11(5-7-12)13(15)16-3/h4-7H,8H2,1-3H3