tert-butyl (2Z)-2-[cyano-(4-nitrophenyl)methylidene]-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl (2Z)-2-[cyano-(4-nitrophenyl)methylidene]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl (2Z)-2-[cyano-(4-nitrophenyl)methylene]-1,3-thiazinane-3-carboxylate CAS Name: (2Z)-2-[cyano-(4-nitrophenyl)methylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[cyano-(4-nitrophenyl)methylidene]-1,3-thiazinane-3-carboxylate Traditional Name: (2Z)-2-[cyano-(4-nitrophenyl)methylene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSC1=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N\1CCCS/C1=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(21)19-9-4-10-25-15(19)14(11-18)12-5-7-13(8-6-12)20(22)23/h5-8H,4,9-10H2,1-3H3/b15-14+