(2S)-2-[[3-(2-fluorophenyl)sulfanyl-1H-indol-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid

Systemtic Name: (2S)-2-[[3-(2-fluorophenyl)sulfanyl-1H-indol-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid Openeye Name: (2S)-2-[[3-(2-fluorophenyl)sulfanyl-1H-indol-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid CAS Name: (2S)-2-[[3-[(2-fluorophenyl)thio]-1H-indol-7-yl]oxymethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-[[3-(2-fluorophenyl)sulfanyl-1H-indol-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid Traditional Name: (2S)-2-[[3-[(2-fluorophenyl)thio]-1H-indol-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)COC2=CC=CC3=C2NC=C3SC4=CC=CC=C4F

Isomeric SMILES

C1C[C@H](N(C1)C(=O)O)COC2=CC=CC3=C2NC=C3SC4=CC=CC=C4F

InChI

InChI=1S/C20H19FN2O3S/c21-15-7-1-2-9-17(15)27-18-11-22-19-14(18)6-3-8-16(19)26-12-13-5-4-10-23(13)20(24)25/h1-3,6-9,11,13,22H,4-5,10,12H2,(H,24,25)/t13-/m0/s1