[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-24-11-5-9-18(24)19(26)15-28-22(27)17-14-25(13-16-7-3-2-4-8-16)23-21(17)20-10-6-12-29-20/h2-12,14H,13,15H2,1H3