(4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O3S/c21-16(17-3-1-12-24-17)8-9-18(22)23-13-14-4-6-15(7-5-14)20-11-2-10-19-20/h1-7,10-12H,8-9,13H2