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

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)carbonyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[1-methyl-5-(4-methylbenzoyl)-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[1-methyl-4-(methylthio)-5-p-toluoyl-pyrrol-2-yl]acetic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-10-4-6-11(7-5-10)16(20)15-13(21-3)8-12(17(15)2)9-14(18)19/h4-8H,9H2,1-3H3,(H,18,19)