2-[3-(3-chloranyl-5-ethylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-chloranyl-5-ethylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-chloro-5-ethylsulfonyl-phenyl)-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-(3-chloro-5-ethylsulfonylphenyl)-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3-chloro-5-ethylsulfonylphenyl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3-chloro-5-esyl-phenyl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=CC(=C1)C2=CN(C=C2C#N)CC(=O)O)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=CC(=C1)C2=CN(C=C2C#N)CC(=O)O)Cl

InChI

InChI=1S/C15H13ClN2O4S/c1-2-23(21,22)13-4-10(3-12(16)5-13)14-8-18(9-15(19)20)7-11(14)6-17/h3-5,7-8H,2,9H2,1H3,(H,19,20)