ethyl 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate

Systemtic Name: ethyl 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Openeye Name: ethyl 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate CAS Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Traditional Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propionic acid ethyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C24H27NO3S/c1-2-27-24(26)12-8-17-7-11-22(28-15-18-5-3-4-6-18)20(13-17)19-9-10-21-23(14-19)29-16-25-21/h7,9-11,13-14,16,18H,2-6,8,12,15H2,1H3