(2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-(2-hydroxy-3-methoxy-benzyl)pyrrolidine-2-carboxamide Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CC(CC2C(=O)NC3CC3)SC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1O)CN2C[C@@H](C[C@H]2C(=O)NC3CC3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O3S/c1-28-20-4-2-3-14(21(20)26)12-25-13-18(29-17-9-5-15(23)6-10-17)11-19(25)22(27)24-16-7-8-16/h2-6,9-10,16,18-19,26H,7-8,11-13H2,1H3,(H,24,27)/t18-,19+/m1/s1