2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate

Systemtic Name: 2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Openeye Name: 2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate CAS Name: 2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate IUPAC Name: 2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Traditional Name: 2-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propionate Formula: C22H22NO3S- MolecularWeight: 380.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N=CS4)C(=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)N=CS4)C(=O)[O-]

InChI

InChI=1S/C22H23NO3S/c1-14(22(24)25)16-7-9-20(26-12-15-4-2-3-5-15)18(10-16)17-6-8-19-21(11-17)27-13-23-19/h6-11,13-15H,2-5,12H2,1H3,(H,24,25)/p-1