methyl 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoate

Systemtic Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoate Openeye Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoate CAS Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]pentanoate Traditional Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]valeric acid methyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4

Isomeric SMILES

COC(=O)CCCCN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4

InChI

InChI=1S/C24H28N2O3S/c1-28-23(27)8-4-5-16-26(19-11-12-19)17-15-18-9-13-20(14-10-18)29-24-25-21-6-2-3-7-22(21)30-24/h2-3,6-7,9-10,13-14,19H,4-5,8,11-12,15-17H2,1H3