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

Systemtic Name: 2-[1-[(3-chloranyl-4-ethylsulfonyl-phenyl)methyl]-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid Openeye Name: 2-[1-[(3-chloro-4-ethylsulfonyl-phenyl)methyl]-7-cyano-2-methyl-indolizin-3-yl]acetic acid CAS Name: 2-[1-[(3-chloro-4-ethylsulfonylphenyl)methyl]-7-cyano-2-methyl-3-indolizinyl]acetic acid IUPAC Name: 2-[1-[(3-chloro-4-ethylsulfonylphenyl)methyl]-7-cyano-2-methylindolizin-3-yl]acetic acid Traditional Name: 2-[1-(3-chloro-4-esyl-benzyl)-7-cyano-2-methyl-indolizin-3-yl]acetic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)CC2=C3C=C(C=CN3C(=C2C)CC(=O)O)C#N)Cl

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)CC2=C3C=C(C=CN3C(=C2C)CC(=O)O)C#N)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-3-29(27,28)20-5-4-14(9-17(20)22)8-16-13(2)18(11-21(25)26)24-7-6-15(12-23)10-19(16)24/h4-7,9-10H,3,8,11H2,1-2H3,(H,25,26)