3-[(5E)-2,4-dimethyl-5-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-2,4-dimethyl-5-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(5E)-2,4-dimethyl-5-[[3-oxo-5-(2-thienyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrol-3-yl]propanoic acid CAS Name: 3-[(5E)-2,4-dimethyl-5-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(5E)-2,4-dimethyl-5-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-[[3-keto-5-(2-thienyl)-3-pyrazolin-4-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]propionic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CC=CS3)C)CCC(=O)O

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3=CC=CS3)C)CCC(=O)O

InChI

InChI=1S/C17H17N3O3S/c1-9-11(5-6-15(21)22)10(2)18-13(9)8-12-16(19-20-17(12)23)14-4-3-7-24-14/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)(H2,19,20,23)/b13-8+