ethyl 8-oxidanylidene-8-[4-(thiomorpholin-4-ylmethyl)phenyl]octanoate

Systemtic Name: ethyl 8-oxidanylidene-8-[4-(thiomorpholin-4-ylmethyl)phenyl]octanoate Openeye Name: ethyl 8-oxo-8-[4-(thiomorpholinomethyl)phenyl]octanoate CAS Name: 8-oxo-8-[4-(thiomorpholin-4-ylmethyl)phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-oxo-8-[4-(thiomorpholin-4-ylmethyl)phenyl]octanoate Traditional Name: 8-keto-8-[4-(thiomorpholinomethyl)phenyl]caprylic acid ethyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)CN2CCSCC2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)CN2CCSCC2

InChI

InChI=1S/C21H31NO3S/c1-2-25-21(24)8-6-4-3-5-7-20(23)19-11-9-18(10-12-19)17-22-13-15-26-16-14-22/h9-12H,2-8,13-17H2,1H3