methyl 4-oxidanylidene-4-[5-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[5-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoate Openeye Name: methyl 4-oxo-4-[5-(pyrazol-1-ylmethyl)-2-thienyl]butanoate CAS Name: 4-oxo-4-[5-(1-pyrazolylmethyl)-2-thiophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[5-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoate Traditional Name: 4-keto-4-[5-(pyrazol-1-ylmethyl)-2-thienyl]butyric acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(S1)CN2C=CC=N2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(S1)CN2C=CC=N2

InChI

InChI=1S/C13H14N2O3S/c1-18-13(17)6-4-11(16)12-5-3-10(19-12)9-15-8-2-7-14-15/h2-3,5,7-8H,4,6,9H2,1H3