5-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)thio]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(4-methoxyphenyl)thio]-1H-pyrrole-2-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(N2)C(=O)O

InChI

InChI=1S/C12H11NO3S/c1-16-8-2-4-9(5-3-8)17-11-7-6-10(13-11)12(14)15/h2-7,13H,1H3,(H,14,15)