(1-phenylpyrazol-4-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CCC(=O)C3=CC=CS3

InChI

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