butyl 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfanyl-benzoate

Systemtic Name: butyl 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfanyl-benzoate Openeye Name: butyl 2-methyl-3-(3-methylisoxazol-5-yl)-4-methylsulfanyl-benzoate CAS Name: 2-methyl-3-(3-methyl-5-isoxazolyl)-4-(methylthio)benzoic acid butyl ester IUPAC Name: butyl 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfanylbenzoate Traditional Name: 2-methyl-3-(3-methylisoxazol-5-yl)-4-(methylthio)benzoic acid butyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(C=C1)SC)C2=CC(=NO2)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(C=C1)SC)C2=CC(=NO2)C)C

InChI

InChI=1S/C17H21NO3S/c1-5-6-9-20-17(19)13-7-8-15(22-4)16(12(13)3)14-10-11(2)18-21-14/h7-8,10H,5-6,9H2,1-4H3