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

Systemtic Name: 2-[1-methyl-5-[2-(4-methylphenyl)-1,3-dithiolan-2-yl]pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-methyl-5-[2-(p-tolyl)-1,3-dithiolan-2-yl]pyrrol-2-yl]acetic acid CAS Name: 2-[1-methyl-5-[2-(4-methylphenyl)-1,3-dithiolan-2-yl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-methyl-5-[2-(4-methylphenyl)-1,3-dithiolan-2-yl]pyrrol-2-yl]acetic acid Traditional Name: 2-[1-methyl-5-[2-(p-tolyl)-1,3-dithiolan-2-yl]pyrrol-2-yl]acetic acid Formula: C17H19NO2S2 MolecularWeight: 333.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SCCS2)C3=CC=C(N3C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(SCCS2)C3=CC=C(N3C)CC(=O)O

InChI

InChI=1S/C17H19NO2S2/c1-12-3-5-13(6-4-12)17(21-9-10-22-17)15-8-7-14(18(15)2)11-16(19)20/h3-8H,9-11H2,1-2H3,(H,19,20)