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

Systemtic Name: 2-[2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-(3-formyl-2,5-dimethyl-1-pyrrolyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenyl]thio]acetic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2SCC(=O)O)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2SCC(=O)O)C)C=O

InChI

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