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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-2-22-18(21)5-3-4-17(20)16-8-6-15(7-9-16)14-19-10-12-23-13-11-19/h6-9H,2-5,10-14H2,1H3