ethyl 7-oxidanylidene-7-[3-(thiomorpholin-4-ylmethyl)phenyl]heptanoate

Systemtic Name: ethyl 7-oxidanylidene-7-[3-(thiomorpholin-4-ylmethyl)phenyl]heptanoate Openeye Name: ethyl 7-oxo-7-[3-(thiomorpholinomethyl)phenyl]heptanoate CAS Name: 7-oxo-7-[3-(thiomorpholin-4-ylmethyl)phenyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-oxo-7-[3-(thiomorpholin-4-ylmethyl)phenyl]heptanoate Traditional Name: 7-keto-7-[3-(thiomorpholinomethyl)phenyl]enanthic acid ethyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3S/c1-2-24-20(23)10-5-3-4-9-19(22)18-8-6-7-17(15-18)16-21-11-13-25-14-12-21/h6-8,15H,2-5,9-14,16H2,1H3