(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=COC(=N2)C3=CC=CS3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=COC(=N2)C3=CC=CS3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3O3S/c1-13-17(18(21)24(23-13)10-14-6-3-2-4-7-14)20(25)27-12-15-11-26-19(22-15)16-8-5-9-28-16/h2-9,11H,10,12H2,1H3