[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic 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] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-14(24)21-17(18-8-5-11-28-18)12-20(26)27-13-19(25)23-10-9-16(22-23)15-6-3-2-4-7-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,24)