[4-[4-[[3-(4-cyanophenoxy)-2-oxidanyl-propyl]amino]pentylsulfanyl]phenyl] ethanoate

Systemtic Name: [4-[4-[[3-(4-cyanophenoxy)-2-oxidanyl-propyl]amino]pentylsulfanyl]phenyl] ethanoate Openeye Name: [4-[4-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]amino]pentylsulfanyl]phenyl] acetate CAS Name: acetic acid [4-[4-[[3-(4-cyanophenoxy)-2-hydroxypropyl]amino]pentylthio]phenyl] ester IUPAC Name: [4-[4-[[3-(4-cyanophenoxy)-2-hydroxypropyl]amino]pentylsulfanyl]phenyl] acetate Traditional Name: acetic acid [4-[4-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]amino]pentylthio]phenyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSC1=CC=C(C=C1)OC(=O)C)NCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(CCCSC1=CC=C(C=C1)OC(=O)C)NCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C23H28N2O4S/c1-17(4-3-13-30-23-11-9-22(10-12-23)29-18(2)26)25-15-20(27)16-28-21-7-5-19(14-24)6-8-21/h5-12,17,20,25,27H,3-4,13,15-16H2,1-2H3