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

Systemtic Name: N-[(2S)-butan-2-yl]-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-[(1S)-1-methylpropyl]-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-3-11(2)19-15(21)13-9-18-17-20(16(13)22)14(10-23-17)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1