(2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]propanamide

Systemtic Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]propanamide Openeye Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-(4H-3,1-benzothiazin-2-ylthio)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-(4H-3,1-benzothiazin-2-ylthio)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2CS1

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC2=CC=CC=C2CS1

InChI

InChI=1S/C17H21N3OS2/c1-11(2)17(4,10-18)20-15(21)12(3)23-16-19-14-8-6-5-7-13(14)9-22-16/h5-8,11-12H,9H2,1-4H3,(H,20,21)/t12-,17+/m0/s1