2-[5-(4-methoxyphenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(4-methoxyphenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-methoxyphenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[(4-methoxyphenyl)thio]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[5-(4-methoxyphenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-[(4-methoxyphenyl)thio]-1H-pyrrol-3-yl]acetic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC(=CN2)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC(=CN2)CC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-17-10-2-4-11(5-3-10)18-12-6-9(8-14-12)7-13(15)16/h2-6,8,14H,7H2,1H3,(H,15,16)