2-[5-(2,4-dimethylphenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(2,4-dimethylphenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(2,4-dimethylbenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(2,4-dimethylphenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(2,4-dimethylbenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(2,4-dimethylbenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C=C(N2C)CC(=O)O)SC)C

InChI

InChI=1S/C17H19NO3S/c1-10-5-6-13(11(2)7-10)17(21)16-14(22-4)8-12(18(16)3)9-15(19)20/h5-8H,9H2,1-4H3,(H,19,20)