[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C23H26ClNO4S MolecularWeight: 447.97484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H26ClNO4S/c1-17(26)25-14-2-4-18-6-8-19(9-7-18)22(27)16-29-23(28)5-3-15-30-21-12-10-20(24)11-13-21/h6-13H,2-5,14-16H2,1H3,(H,25,26)