2-[3-chloranyl-4-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)-ethyl-amino]propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)-ethyl-amino]propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-N-ethyl-3-hydroxy-2-propyl-anilino)propylsulfanyl]-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[3-(4-acetyl-N-ethyl-3-hydroxy-2-propylanilino)propylthio]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-N-ethyl-3-hydroxy-2-propylanilino)propylsulfanyl]-3-chlorophenyl]acetic acid Traditional Name: 2-[4-[3-(4-acetyl-N-ethyl-3-hydroxy-2-propyl-anilino)propylthio]-3-chloro-phenyl]acetic acid Formula: C24H30ClNO4S MolecularWeight: 464.0173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC)CCCSC2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC)CCCSC2=C(C=C(C=C2)CC(=O)O)Cl

InChI

InChI=1S/C24H30ClNO4S/c1-4-7-19-21(10-9-18(16(3)27)24(19)30)26(5-2)12-6-13-31-22-11-8-17(14-20(22)25)15-23(28)29/h8-11,14,30H,4-7,12-13,15H2,1-3H3,(H,28,29)