2-[3-(4-chlorophenyl)sulfanyl-4-ethylsulfonyl-7-methoxy-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-4-ethylsulfonyl-7-methoxy-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-4-ethylsulfonyl-7-methoxy-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-4-ethylsulfonyl-7-methoxy-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-4-ethylsulfonyl-7-methoxy-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-4-esyl-7-methoxy-2-methyl-indol-1-yl]acetic acid Formula: C20H20ClNO5S2 MolecularWeight: 453.9595

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C2C(=C(C=C1)OC)N(C(=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=C2C(=C(C=C1)OC)N(C(=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O

InChI

InChI=1S/C20H20ClNO5S2/c1-4-29(25,26)16-10-9-15(27-3)19-18(16)20(12(2)22(19)11-17(23)24)28-14-7-5-13(21)6-8-14/h5-10H,4,11H2,1-3H3,(H,23,24)