S-tert-butyl 2-(4-nitrophenyl)-2-oxidanylidene-ethanethioate

Systemtic Name: S-tert-butyl 2-(4-nitrophenyl)-2-oxidanylidene-ethanethioate Openeye Name: S-tert-butyl 2-(4-nitrophenyl)-2-oxo-ethanethioate CAS Name: 2-(4-nitrophenyl)-2-oxoethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-(4-nitrophenyl)-2-oxoethanethioate Traditional Name: 2-keto-2-(4-nitrophenyl)ethanethioic acid S-tert-butyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC(=O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4S/c1-12(2,3)18-11(15)10(14)8-4-6-9(7-5-8)13(16)17/h4-7H,1-3H3