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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)OC(C)(C)C)SC

InChI

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