[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic 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-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C19H26N2O5S2/c1-13(2)7-8-21-14(3)10-16(15(21)4)17(22)12-26-18(23)11-20-28(24,25)19-6-5-9-27-19/h5-6,9-10,13,20H,7-8,11-12H2,1-4H3