tert-butyl (2E)-2-[cyano(phenylsulfonyl)methylidene]-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl (2E)-2-[cyano(phenylsulfonyl)methylidene]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl (2E)-2-[benzenesulfonyl(cyano)methylene]-1,3-thiazinane-3-carboxylate CAS Name: (2E)-2-[benzenesulfonyl(cyano)methylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[benzenesulfonyl(cyano)methylidene]-1,3-thiazinane-3-carboxylate Traditional Name: (2E)-2-[besyl(cyano)methylene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSC1=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N\1CCCS/C1=C(\C#N)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S2/c1-17(2,3)23-16(20)19-10-7-11-24-15(19)14(12-18)25(21,22)13-8-5-4-6-9-13/h4-6,8-9H,7,10-11H2,1-3H3/b15-14+