N-ethylethanamine; 3-phenylpropyl 5-ethylsulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: N-ethylethanamine; 3-phenylpropyl 5-ethylsulfanyl-3-oxidanylidene-pentanoate Openeye Name: N-ethylethanamine; 3-phenylpropyl 5-ethylsulfanyl-3-oxo-pentanoate CAS Name: N-ethylethanamine; 5-(ethylthio)-3-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: N-ethylethanamine; 3-phenylpropyl 5-ethylsulfanyl-3-oxopentanoate Traditional Name: diethylamine; 5-(ethylthio)-3-keto-valeric acid 3-phenylpropyl ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCSCCC(=O)CC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCNCC.CCSCCC(=O)CC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S.C4H11N/c1-2-20-12-10-15(17)13-16(18)19-11-6-9-14-7-4-3-5-8-14;1-3-5-4-2/h3-5,7-8H,2,6,9-13H2,1H3;5H,3-4H2,1-2H3