[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-15(26-17-10-6-3-7-11-17)20(24)25-14-19(23)22-13-12-18(21-22)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3/t15-/m1/s1