2-[1-(3-chloranyl-4-ethylsulfonyl-phenyl)sulfanyl-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3-chloranyl-4-ethylsulfonyl-phenyl)sulfanyl-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-chloro-4-ethylsulfonyl-phenyl)sulfanyl-7-cyano-2-methyl-indolizin-3-yl]acetic acid CAS Name: 2-[1-[(3-chloro-4-ethylsulfonylphenyl)thio]-7-cyano-2-methyl-3-indolizinyl]acetic acid IUPAC Name: 2-[1-(3-chloro-4-ethylsulfonylphenyl)sulfanyl-7-cyano-2-methylindolizin-3-yl]acetic acid Traditional Name: 2-[1-[(3-chloro-4-esyl-phenyl)thio]-7-cyano-2-methyl-indolizin-3-yl]acetic acid Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)SC2=C3C=C(C=CN3C(=C2C)CC(=O)O)C#N)Cl

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)SC2=C3C=C(C=CN3C(=C2C)CC(=O)O)C#N)Cl

InChI

InChI=1S/C20H17ClN2O4S2/c1-3-29(26,27)18-5-4-14(9-15(18)21)28-20-12(2)16(10-19(24)25)23-7-6-13(11-22)8-17(20)23/h4-9H,3,10H2,1-2H3,(H,24,25)