(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-(4H-3,1-benzothiazin-2-ylthio)-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-(4H-3,1-benzothiazin-2-ylthio)-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3CS2

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C20H19N3OS2/c1-15(26-20-22-18-11-6-5-8-16(18)14-25-20)19(24)23(13-7-12-21)17-9-3-2-4-10-17/h2-6,8-11,15H,7,13-14H2,1H3/t15-/m1/s1