[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C21H22FNO4S/c1-15(24)23-12-4-5-16-8-10-17(11-9-16)19(25)13-27-21(26)14-28-20-7-3-2-6-18(20)22/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,24)