5-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3R)-3-(2-hydroxy-3-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5R)-5-(2-hydroxy-3-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H]2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O5S/c1-26-15-6-2-5-12(19(15)25)14-11-13(16-7-4-10-27-16)20-21(14)17(22)8-3-9-18(23)24/h2,4-7,10,14,25H,3,8-9,11H2,1H3,(H,23,24)/t14-/m1/s1