tert-butyl 2-[cyano-(2-cyanophenyl)methyl]-2-methylsulfanyl-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl 2-[cyano-(2-cyanophenyl)methyl]-2-methylsulfanyl-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl 2-[cyano-(2-cyanophenyl)methyl]-2-methylsulfanyl-1,3-thiazinane-3-carboxylate CAS Name: 2-[cyano-(2-cyanophenyl)methyl]-2-(methylthio)-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[cyano-(2-cyanophenyl)methyl]-2-methylsulfanyl-1,3-thiazinane-3-carboxylate Traditional Name: 2-[cyano-(2-cyanophenyl)methyl]-2-(methylthio)-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSC1(C(C#N)C2=CC=CC=C2C#N)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCSC1(C(C#N)C2=CC=CC=C2C#N)SC

InChI

InChI=1S/C19H23N3O2S2/c1-18(2,3)24-17(23)22-10-7-11-26-19(22,25-4)16(13-21)15-9-6-5-8-14(15)12-20/h5-6,8-9,16H,7,10-11H2,1-4H3