1-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-3-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylic acid

Systemtic Name: 1-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-3-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylic acid Openeye Name: 1-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-[2-(2-thienylsulfanyl)ethyl]azetidine-3-carboxylic acid CAS Name: 1-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-3-[2-(thiophen-2-ylthio)ethyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-3-(2-thiophen-2-ylsulfanylethyl)azetidine-3-carboxylic acid Traditional Name: 1-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-[2-(2-thienylthio)ethyl]azetidine-3-carboxylic acid Formula: C23H25FN2O3S2 MolecularWeight: 460.584603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCN3CC(C3)(CCSC4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCN3CC(C3)(CCSC4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H25FN2O3S2/c1-29-16-6-7-20-18(12-16)17(19(24)13-25-20)4-2-9-26-14-23(15-26,22(27)28)8-11-31-21-5-3-10-30-21/h3,5-7,10,12-13H,2,4,8-9,11,14-15H2,1H3,(H,27,28)