1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-13-6-7-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)9-8-16-5-4-10-28-16/h4-7,10-11H,8-9,12H2,1-3H3