2-[2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-(3-formyl-2,5-dimethyl-1-pyrrolyl)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenyl]thio]propionic acid Formula: C16H17NO3S MolecularWeight: 303.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2SC(C)C(=O)O)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2SC(C)C(=O)O)C)C=O

InChI

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