(2S)-N-(3-iodanylphenyl)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanamide

Systemtic Name: (2S)-N-(3-iodanylphenyl)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanamide Openeye Name: (2S)-N-(3-iodophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide CAS Name: (2S)-N-(3-iodophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide IUPAC Name: (2S)-N-(3-iodophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide Traditional Name: (2S)-N-(3-iodophenyl)-2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]propionamide Formula: C17H15IN2O2S MolecularWeight: 438.28267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C[C@H]([C@@H]1C(=O)NC2=CC=CC=C2S1)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H15IN2O2S/c1-10(16(21)19-12-6-4-5-11(18)9-12)15-17(22)20-13-7-2-3-8-14(13)23-15/h2-10,15H,1H3,(H,19,21)(H,20,22)/t10-,15-/m1/s1