(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N5O2S/c1-10(22-16(24)11-6-2-3-7-12(11)20-21-22)15(23)19-17-18-13-8-4-5-9-14(13)25-17/h2-10H,1H3,(H,18,19,23)/t10-/m0/s1