5-oxidanyl-7-oxidanylidene-N-[(2S)-4-phenylbutan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 5-oxidanyl-7-oxidanylidene-N-[(2S)-4-phenylbutan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 5-hydroxy-N-[(1S)-1-methyl-3-phenyl-propyl]-7-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-hydroxy-7-oxo-N-[(2S)-4-phenylbutan-2-yl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-hydroxy-7-oxo-N-[(2S)-4-phenylbutan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-hydroxy-7-keto-N-[(1S)-1-methyl-3-phenyl-propyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=C([N+]3=C(NC2=O)SC=C3)O

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)C2=C([N+]3=C(NC2=O)SC=C3)O

InChI

InChI=1S/C17H17N3O3S/c1-11(7-8-12-5-3-2-4-6-12)18-14(21)13-15(22)19-17-20(16(13)23)9-10-24-17/h2-6,9-11H,7-8H2,1H3,(H2,18,21,22,23)/p+1/t11-/m0/s1