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

Systemtic Name: (2S)-N-(4-dimethylaminophenyl)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide CAS Name: (2S)-N-(4-dimethylaminophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide IUPAC Name: (2S)-N-(4-dimethylaminophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]propionamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-12(17-19(24)21-15-6-4-5-7-16(15)25-17)18(23)20-13-8-10-14(11-9-13)22(2)3/h4-12,17H,1-3H3,(H,20,23)(H,21,24)/t12-,17-/m1/s1