methyl 3-[(3S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-piperidin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-piperidin-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholino-3-piperidyl]propanoate CAS Name: 3-[(3S,4R)-1-[[4-(methylthio)phenyl]methyl]-4-(4-morpholinyl)-3-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-[4-(methylthio)benzyl]-4-morpholino-3-piperidyl]propionic acid methyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CN(CCC1N2CCOCC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)CC[C@H]1CN(CC[C@H]1N2CCOCC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H32N2O3S/c1-25-21(24)8-5-18-16-22(15-17-3-6-19(27-2)7-4-17)10-9-20(18)23-11-13-26-14-12-23/h3-4,6-7,18,20H,5,8-16H2,1-2H3/t18-,20+/m0/s1