ethyl 2-[(3-cyclohexyl-3-oxidanyl-propyl)amino]-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-hexanoate

Systemtic Name: ethyl 2-[(3-cyclohexyl-3-oxidanyl-propyl)amino]-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-hexanoate Openeye Name: ethyl 2-[(3-cyclohexyl-3-hydroxy-propyl)amino]-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-hexanoate CAS Name: 2-[(3-cyclohexyl-3-hydroxypropyl)amino]-6-[(2-ethoxy-2-oxoethyl)thio]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]-6-(2-ethoxy-2-oxoethyl)sulfanylhexanoate Traditional Name: 2-[(3-cyclohexyl-3-hydroxy-propyl)amino]-6-[(2-ethoxy-2-keto-ethyl)thio]hexanoic acid ethyl ester Formula: C21H39NO5S MolecularWeight: 417.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCCCC(C(=O)OCC)NCCC(C1CCCCC1)O

Isomeric SMILES

CCOC(=O)CSCCCCC(C(=O)OCC)NCCC(C1CCCCC1)O

InChI

InChI=1S/C21H39NO5S/c1-3-26-20(24)16-28-15-9-8-12-18(21(25)27-4-2)22-14-13-19(23)17-10-6-5-7-11-17/h17-19,22-23H,3-16H2,1-2H3