ethyl 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoate

Systemtic Name: ethyl 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoate Openeye Name: ethyl 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoate CAS Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]octanoic acid ethyl ester IUPAC Name: ethyl 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]octanoate Traditional Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]caprylic acid ethyl ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4

Isomeric SMILES

CCOC(=O)CCCCCCCN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4

InChI

InChI=1S/C28H36N2O3S/c1-2-32-27(31)12-6-4-3-5-9-20-30(23-15-16-23)21-19-22-13-17-24(18-14-22)33-28-29-25-10-7-8-11-26(25)34-28/h7-8,10-11,13-14,17-18,23H,2-6,9,12,15-16,19-21H2,1H3