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

Systemtic Name: 2-[5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[(3-chlorophenyl)thio]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[5-(3-chlorophenyl)sulfanyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-[(3-chlorophenyl)thio]-1H-pyrrol-3-yl]acetic acid Formula: C12H10ClNO2S MolecularWeight: 267.7313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SC2=CC(=CN2)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SC2=CC(=CN2)CC(=O)O

InChI

InChI=1S/C12H10ClNO2S/c13-9-2-1-3-10(6-9)17-11-4-8(7-14-11)5-12(15)16/h1-4,6-7,14H,5H2,(H,15,16)