[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H16N2O3S/c1-2-15-8-9-17(24-15)16(21)12-23-18(22)13-4-6-14(7-5-13)20-11-3-10-19-20/h3-11H,2,12H2,1H3