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

Systemtic Name: 2-[4-methoxy-1-methyl-5-(4-methylsulfinylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[4-methoxy-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[4-methoxy-1-methyl-5-[(4-methylsulfinylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[4-methoxy-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[4-methoxy-1-methyl-5-(4-methylsulfinylbenzoyl)pyrrol-2-yl]acetic acid Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-17-11(9-14(18)19)8-13(22-2)15(17)16(20)10-4-6-12(7-5-10)23(3)21/h4-8H,9H2,1-3H3,(H,18,19)