dipropan-2-yl 4-cyano-4-(2-ethylsulfanylphenyl)heptanedioate

Systemtic Name: dipropan-2-yl 4-cyano-4-(2-ethylsulfanylphenyl)heptanedioate Openeye Name: diisopropyl 4-cyano-4-(2-ethylsulfanylphenyl)heptanedioate CAS Name: 4-cyano-4-[2-(ethylthio)phenyl]heptanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-cyano-4-(2-ethylsulfanylphenyl)heptanedioate Traditional Name: 4-cyano-4-[2-(ethylthio)phenyl]pimelic acid diisopropyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(CCC(=O)OC(C)C)(CCC(=O)OC(C)C)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(CCC(=O)OC(C)C)(CCC(=O)OC(C)C)C#N

InChI

InChI=1S/C22H31NO4S/c1-6-28-19-10-8-7-9-18(19)22(15-23,13-11-20(24)26-16(2)3)14-12-21(25)27-17(4)5/h7-10,16-17H,6,11-14H2,1-5H3