S-tert-butyl 2,4-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)benzenecarbothioate

Systemtic Name: S-tert-butyl 2,4-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)benzenecarbothioate Openeye Name: S-tert-butyl 2,4-dimethyl-3-(3-methylisoxazol-5-yl)benzenecarbothioate CAS Name: 2,4-dimethyl-3-(3-methyl-5-isoxazolyl)benzenecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2,4-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)benzenecarbothioate Traditional Name: 2,4-dimethyl-3-(3-methylisoxazol-5-yl)thiobenzoic acid S-tert-butyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)SC(C)(C)C)C)C2=CC(=NO2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)SC(C)(C)C)C)C2=CC(=NO2)C

InChI

InChI=1S/C17H21NO2S/c1-10-7-8-13(16(19)21-17(4,5)6)12(3)15(10)14-9-11(2)18-20-14/h7-9H,1-6H3