(2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide Openeye Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide CAS Name: (2S)-2-(4H-3,1-benzothiazin-2-ylthio)-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide Traditional Name: (2S)-2-(4H-3,1-benzothiazin-2-ylthio)-N-(tert-butylcarbamoyl)propionamide Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S2/c1-10(13(20)18-14(21)19-16(2,3)4)23-15-17-12-8-6-5-7-11(12)9-22-15/h5-8,10H,9H2,1-4H3,(H2,18,19,20,21)/t10-/m0/s1