2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c26-21(13-20-22(27)24-18-9-3-4-10-19(18)28-20)23-14-16-7-1-2-8-17(16)15-25-11-5-6-12-25/h1-4,7-10,20H,5-6,11-15H2,(H,23,26)(H,24,27)/t20-/m0/s1