4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3-oxidanylidene-5-phenyl-1-benzothiophen-2-yl)hydrazinylidene]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3-oxidanylidene-5-phenyl-1-benzothiophen-2-yl)hydrazinylidene]pyrazol-1-yl]butanoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-oxo-5-phenyl-benzothiophen-2-yl)hydrazono]pyrazol-1-yl]butanoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-oxo-5-phenyl-1-benzothiophen-2-yl)hydrazinylidene]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3-oxo-5-phenyl-1-benzothiophen-2-yl)hydrazinylidene]pyrazol-1-yl]butanoic acid Traditional Name: 4-[(4Z)-5-keto-4-[(3-keto-5-phenyl-benzothiophen-2-yl)hydrazono]-3-methyl-2-pyrazolin-1-yl]butyric acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2C(=O)C3=C(S2)C=CC(=C3)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2C(=O)C3=C(S2)C=CC(=C3)C4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C22H20N4O4S/c1-13-19(22(30)26(25-13)11-5-8-18(27)28)23-24-21-20(29)16-12-15(9-10-17(16)31-21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,21,24H,5,8,11H2,1H3,(H,27,28)/b23-19-