3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]propanoate

Systemtic Name: 3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]propanoate Openeye Name: 3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]propanoate CAS Name: 3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]propanoate IUPAC Name: 3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)propanoate Traditional Name: 3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]propionate Formula: C17H15N2O2S- MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)CCC(=O)[O-]

InChI

InChI=1S/C17H16N2O2S/c20-16(21)9-8-14-12-19(11-13-5-2-1-3-6-13)18-17(14)15-7-4-10-22-15/h1-7,10,12H,8-9,11H2,(H,20,21)/p-1