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

Systemtic Name: 2-[5-(4-methoxyphenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-methoxybenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-methoxybenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[1-methyl-4-(methylthio)-5-p-anisoyl-pyrrol-2-yl]acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)SC)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)SC)CC(=O)O

InChI

InChI=1S/C16H17NO4S/c1-17-11(9-14(18)19)8-13(22-3)15(17)16(20)10-4-6-12(21-2)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)