ethyl 3-[3-fluoranyl-5-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfanyl-phenyl]-3-methoxy-pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[3-fluoranyl-5-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfanyl-phenyl]-3-methoxy-pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[3-fluoro-5-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfanyl-phenyl]-3-methoxy-pyrrolidine-1-carboxylate CAS Name: 3-[3-fluoro-5-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]thio]phenyl]-3-methoxy-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-fluoro-5-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfanylphenyl]-3-methoxypyrrolidine-1-carboxylate Traditional Name: 3-[3-fluoro-5-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]thio]phenyl]-3-methoxy-pyrrolidine-1-carboxylic acid ethyl ester Formula: C24H28FNO5S MolecularWeight: 461.546223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)(C2=CC(=CC(=C2)SC3=CC=C(C=C3)C4(OCCO4)C)F)OC

Isomeric SMILES

CCOC(=O)N1CCC(C1)(C2=CC(=CC(=C2)SC3=CC=C(C=C3)C4(OCCO4)C)F)OC

InChI

InChI=1S/C24H28FNO5S/c1-4-29-22(27)26-10-9-24(16-26,28-3)18-13-19(25)15-21(14-18)32-20-7-5-17(6-8-20)23(2)30-11-12-31-23/h5-8,13-15H,4,9-12,16H2,1-3H3