2-ethanoyl-3-[4-(2-phenylmethoxyethylsulfanyl)phenyl]butanoic acid

Systemtic Name: 2-ethanoyl-3-[4-(2-phenylmethoxyethylsulfanyl)phenyl]butanoic acid Openeye Name: 2-acetyl-3-[4-(2-benzyloxyethylsulfanyl)phenyl]butanoic acid CAS Name: 2-acetyl-3-[4-(2-phenylmethoxyethylthio)phenyl]butanoic acid IUPAC Name: 2-acetyl-3-[4-(2-phenylmethoxyethylsulfanyl)phenyl]butanoic acid Traditional Name: 2-acetyl-3-[4-(2-benzoxyethylthio)phenyl]butyric acid Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SCCOCC2=CC=CC=C2)C(C(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SCCOCC2=CC=CC=C2)C(C(=O)C)C(=O)O

InChI

InChI=1S/C21H24O4S/c1-15(20(16(2)22)21(23)24)18-8-10-19(11-9-18)26-13-12-25-14-17-6-4-3-5-7-17/h3-11,15,20H,12-14H2,1-2H3,(H,23,24)