tert-butyl (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate CAS Name: (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate Traditional Name: (2Z)-2-[3,3-dicyano-2-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-20(2,3)28-19(25)23-9-4-10-29-18(23)11-17(15(12-21)13-22)14-5-7-16(8-6-14)24(26)27/h5-8,11H,4,9-10H2,1-3H3/b18-11-