ethyl 5-oxidanylidene-5-[3-(thiomorpholin-4-ylmethyl)phenyl]pentanoate

Systemtic Name: ethyl 5-oxidanylidene-5-[3-(thiomorpholin-4-ylmethyl)phenyl]pentanoate Openeye Name: ethyl 5-oxo-5-[3-(thiomorpholinomethyl)phenyl]pentanoate CAS Name: 5-oxo-5-[3-(thiomorpholin-4-ylmethyl)phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-oxo-5-[3-(thiomorpholin-4-ylmethyl)phenyl]pentanoate Traditional Name: 5-keto-5-[3-(thiomorpholinomethyl)phenyl]valeric acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)C1=CC(=CC=C1)CN2CCSCC2

Isomeric SMILES

CCOC(=O)CCCC(=O)C1=CC(=CC=C1)CN2CCSCC2

InChI

InChI=1S/C18H25NO3S/c1-2-22-18(21)8-4-7-17(20)16-6-3-5-15(13-16)14-19-9-11-23-12-10-19/h3,5-6,13H,2,4,7-12,14H2,1H3