S-tert-butyl 2-methyl-3-(4-nitrophenyl)oxirane-2-carbothioate

Systemtic Name: S-tert-butyl 2-methyl-3-(4-nitrophenyl)oxirane-2-carbothioate Openeye Name: S-tert-butyl 2-methyl-3-(4-nitrophenyl)oxirane-2-carbothioate CAS Name: 2-methyl-3-(4-nitrophenyl)-2-oxiranecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-methyl-3-(4-nitrophenyl)oxirane-2-carbothioate Traditional Name: 2-methyl-3-(4-nitrophenyl)oxirane-2-carbothioic acid S-tert-butyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)SC(C)(C)C

Isomeric SMILES

CC1(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)SC(C)(C)C

InChI

InChI=1S/C14H17NO4S/c1-13(2,3)20-12(16)14(4)11(19-14)9-5-7-10(8-6-9)15(17)18/h5-8,11H,1-4H3