[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-30-19-11-9-18(10-12-19)21-16-22(23-8-5-14-31-23)27(26-21)24(28)17-32-25(29)13-15-33-20-6-3-2-4-7-20/h2-12,14,22H,13,15-17H2,1H3