3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]propanoic acid

Systemtic Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]propanoic acid Openeye Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]propanoic acid CAS Name: 3-[1-[[3-(2-ethyl-1,3-benzothiazol-6-yl)propylamino]-oxomethyl]cyclopentyl]propanoic acid IUPAC Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]propanoic acid Traditional Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]propionic acid Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(S1)C=C(C=C2)CCCNC(=O)C3(CCCC3)CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(S1)C=C(C=C2)CCCNC(=O)C3(CCCC3)CCC(=O)O

InChI

InChI=1S/C21H28N2O3S/c1-2-18-23-16-8-7-15(14-17(16)27-18)6-5-13-22-20(26)21(10-3-4-11-21)12-9-19(24)25/h7-8,14H,2-6,9-13H2,1H3,(H,22,26)(H,24,25)