[4-[2-[3-(4-methoxyphenyl)propylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-[2-[3-(4-methoxyphenyl)propylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-[2-[3-(4-methoxyphenyl)propylamino]acetyl]-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-[2-[3-(4-methoxyphenyl)propylamino]-1-oxoethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[3-(4-methoxyphenyl)propylamino]acetyl]-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-[2-[3-(4-methoxyphenyl)propylamino]acetyl]-2-(methylthio)phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNCCCC2=CC=C(C=C2)OC)SC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNCCCC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C21H25NO4S/c1-15(23)26-20-11-8-17(13-21(20)27-3)19(24)14-22-12-4-5-16-6-9-18(25-2)10-7-16/h6-11,13,22H,4-5,12,14H2,1-3H3