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

Systemtic Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]-2-methyl-propanoic acid Openeye Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]-2-methyl-propanoic acid CAS Name: 3-[1-[[3-(2-ethyl-1,3-benzothiazol-6-yl)propylamino]-oxomethyl]cyclopentyl]-2-methylpropanoic acid IUPAC Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]-2-methylpropanoic acid Traditional Name: 3-[1-[3-(2-ethyl-1,3-benzothiazol-6-yl)propylcarbamoyl]cyclopentyl]-2-methyl-propionic acid Formula: C22H30N2O3S MolecularWeight: 402.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-3-19-24-17-9-8-16(13-18(17)28-19)7-6-12-23-21(27)22(10-4-5-11-22)14-15(2)20(25)26/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,23,27)(H,25,26)