2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(p-tolyl)pyrrol-3-yl]acetic acid CAS Name: 2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(4-methylphenyl)-3-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid Traditional Name: 2-[5-(4-methoxysulfinylphenyl)-2-methyl-1-(p-tolyl)pyrrol-3-yl]acetic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=C2C3=CC=C(C=C3)S(=O)OC)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=C2C3=CC=C(C=C3)S(=O)OC)CC(=O)O)C

InChI

InChI=1S/C21H21NO4S/c1-14-4-8-18(9-5-14)22-15(2)17(13-21(23)24)12-20(22)16-6-10-19(11-7-16)27(25)26-3/h4-12H,13H2,1-3H3,(H,23,24)