[4-[5-cyano-3-(ethylamino)-4-(2-oxidanylpropoxy)-2-propyl-phenyl]sulfanylphenyl] ethanoate

Systemtic Name: [4-[5-cyano-3-(ethylamino)-4-(2-oxidanylpropoxy)-2-propyl-phenyl]sulfanylphenyl] ethanoate Openeye Name: [4-[5-cyano-3-(ethylamino)-4-(2-hydroxypropoxy)-2-propyl-phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [4-[[5-cyano-3-(ethylamino)-4-(2-hydroxypropoxy)-2-propylphenyl]thio]phenyl] ester IUPAC Name: [4-[5-cyano-3-(ethylamino)-4-(2-hydroxypropoxy)-2-propylphenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [4-[[5-cyano-3-(ethylamino)-4-(2-hydroxypropoxy)-2-propyl-phenyl]thio]phenyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1NCC)OCC(C)O)C#N)SC2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C(C(=C1NCC)OCC(C)O)C#N)SC2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C23H28N2O4S/c1-5-7-20-21(30-19-10-8-18(9-11-19)29-16(4)27)12-17(13-24)23(22(20)25-6-2)28-14-15(3)26/h8-12,15,25-26H,5-7,14H2,1-4H3