(4S)-2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-4H-pyrazol-3-one Openeye Name: (4S)-4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-2-pyrazolin-3-one Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C(=O)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N3O2S/c1-7-11(8(2)17)12(18)16(15-7)13-14-9-5-3-4-6-10(9)19-13/h3-6,11H,1-2H3/t11-/m0/s1