2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]azetidin-3-yl]oxyethanoic acid

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]azetidin-3-yl]oxyethanoic acid Openeye Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]azetidin-3-yl]oxyacetic acid CAS Name: 2-[[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-azetidinyl]oxy]acetic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]azetidin-3-yl]oxyacetic acid Traditional Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]azetidin-3-yl]oxyacetic acid Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CC(C2)OCC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CC(C2)OCC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-2-10-28-20-16(19(26)21-14-6-4-3-5-7-14)8-9-17(22-20)23-11-15(12-23)27-13-18(24)25/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,26)(H,24,25)