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

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

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC(=S)S4

Isomeric SMILES

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC(=S)S4

InChI

InChI=1S/C22H23NO3S2/c24-21(25)10-6-14-5-9-19(26-13-15-3-1-2-4-15)17(11-14)16-7-8-18-20(12-16)28-22(27)23-18/h5,7-9,11-12,15H,1-4,6,10,13H2,(H,23,27)(H,24,25)