2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate

Systemtic Name: 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxidanylidenebutanoyl)pyrazol-3-olate Openeye Name: 2-[4-(4-methoxyphenyl)thiazol-2-yl]-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate CAS Name: 4-(1,3-dioxobutyl)-2-[4-(4-methoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazololate IUPAC Name: 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(3-oxobutanoyl)pyrazol-3-olate Traditional Name: 4-acetoacetyl-2-[4-(4-methoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-olate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=NC(=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN(C(=C1C(=O)CC(=O)C)[O-])C2=NC(=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N3O4S/c1-10(22)8-15(23)16-11(2)20-21(17(16)24)18-19-14(9-26-18)12-4-6-13(25-3)7-5-12/h4-7,9,24H,8H2,1-3H3/p-1