ethyl 2-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(5-octyl-2-thienyl)methylamino]phenyl]acetate CAS Name: 2-[4-[(5-octyl-2-thiophenyl)methylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]acetate Traditional Name: 2-[4-[(5-octyl-2-thienyl)methylamino]phenyl]acetic acid ethyl ester Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CC(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CC(=O)OCC

InChI

InChI=1S/C23H33NO2S/c1-3-5-6-7-8-9-10-21-15-16-22(27-21)18-24-20-13-11-19(12-14-20)17-23(25)26-4-2/h11-16,24H,3-10,17-18H2,1-2H3