ethyl (E)-2-[(3-cyclohexyl-3-oxidanyl-propyl)amino]-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-hex-4-enoate

Systemtic Name: ethyl (E)-2-[(3-cyclohexyl-3-oxidanyl-propyl)amino]-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-hex-4-enoate Openeye Name: ethyl (E)-2-[(3-cyclohexyl-3-hydroxy-propyl)amino]-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-hex-4-enoate CAS Name: (E)-2-[(3-cyclohexyl-3-hydroxypropyl)amino]-6-[(2-ethoxy-2-oxoethyl)thio]-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(3-cyclohexyl-3-hydroxypropyl)amino]-6-(2-ethoxy-2-oxoethyl)sulfanylhex-4-enoate Traditional Name: (E)-2-[(3-cyclohexyl-3-hydroxy-propyl)amino]-6-[(2-ethoxy-2-keto-ethyl)thio]hex-4-enoic acid ethyl ester Formula: C21H37NO5S MolecularWeight: 415.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC=CCC(C(=O)OCC)NCCC(C1CCCCC1)O

Isomeric SMILES

CCOC(=O)CSC/C=C/CC(C(=O)OCC)NCCC(C1CCCCC1)O

InChI

InChI=1S/C21H37NO5S/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/h8-9,17-19,22-23H,3-7,10-16H2,1-2H3/b9-8+