methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]carbonylbenzoate Openeye Name: methyl 4-[3-[(E)-2-(2-thienyl)vinyl]pyrazole-1-carbonyl]benzoate CAS Name: 4-[oxo-[3-[(E)-2-thiophen-2-ylethenyl]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate Traditional Name: 4-[3-[(E)-2-(2-thienyl)vinyl]pyrazole-1-carbonyl]benzoic acid methyl ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2C=CC(=N2)C=CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3S/c1-23-18(22)14-6-4-13(5-7-14)17(21)20-11-10-15(19-20)8-9-16-3-2-12-24-16/h2-12H,1H3/b9-8+