ethyl 2-[4-[3-(3-octylthiophen-2-yl)propylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-(3-octylthiophen-2-yl)propylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[3-(3-octyl-2-thienyl)propylamino]phenyl]acetate CAS Name: 2-[4-[3-(3-octyl-2-thiophenyl)propylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(3-octylthiophen-2-yl)propylamino]phenyl]acetate Traditional Name: 2-[4-[3-(3-octyl-2-thienyl)propylamino]phenyl]acetic acid ethyl ester Formula: C25H37NO2S MolecularWeight: 415.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC=C1)CCCNC2=CC=C(C=C2)CC(=O)OCC

Isomeric SMILES

CCCCCCCCC1=C(SC=C1)CCCNC2=CC=C(C=C2)CC(=O)OCC

InChI

InChI=1S/C25H37NO2S/c1-3-5-6-7-8-9-11-22-17-19-29-24(22)12-10-18-26-23-15-13-21(14-16-23)20-25(27)28-4-2/h13-17,19,26H,3-12,18,20H2,1-2H3