4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanoic acid

Systemtic Name: 4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanoic acid Openeye Name: 4-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanoic acid CAS Name: 4-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)butanoic acid IUPAC Name: 4-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)butanoic acid Traditional Name: 4-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butyric acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O3S/c1-11-15-16(19(17-11)12-6-3-2-4-7-12)23-10-13(20)18(15)9-5-8-14(21)22/h2-4,6-7H,5,8-10H2,1H3,(H,21,22)