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

Systemtic Name: 2-[1-methyl-4-methylsulfanyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl)acetic acid CAS Name: 2-[5-benzoyl-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-(5-benzoyl-1-methyl-4-methylsulfanylpyrrol-2-yl)acetic acid Traditional Name: 2-[5-benzoyl-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3S/c1-16-11(9-13(17)18)8-12(20-2)14(16)15(19)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,18)