[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H29N3O3S/c1-18(2)12-13-29-19(3)15-22(20(29)4)25(31)17-33-27(32)24-16-23(26-11-8-14-34-26)28-30(24)21-9-6-5-7-10-21/h5-11,14-16,18H,12-13,17H2,1-4H3