2-[4-(cyclopentylmethoxy)-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(cyclopentylmethoxy)-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid Openeye Name: 2-[4-(cyclopentylmethoxy)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid CAS Name: 2-[4-(cyclopentylmethoxy)-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(cyclopentylmethoxy)-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)phenyl]propanoic acid Traditional Name: 2-[4-(cyclopentylmethoxy)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)phenyl]propionic acid Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)NC(=S)S4)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)NC(=S)S4)C(=O)O

InChI

InChI=1S/C22H23NO3S2/c1-13(21(24)25)15-7-9-19(26-12-14-4-2-3-5-14)17(10-15)16-6-8-18-20(11-16)28-22(27)23-18/h6-11,13-14H,2-5,12H2,1H3,(H,23,27)(H,24,25)