2-[4-chloranyl-1-methyl-5-(4-methylsulfinylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-1-methyl-5-(4-methylsulfinylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[4-chloro-1-methyl-5-[(4-methylsulfinylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[4-chloro-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)S(=O)C)Cl)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)S(=O)C)Cl)CC(=O)O

InChI

InChI=1S/C15H14ClNO4S/c1-17-10(8-13(18)19)7-12(16)14(17)15(20)9-3-5-11(6-4-9)22(2)21/h3-7H,8H2,1-2H3,(H,18,19)