(2S)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4S)-6-fluorothiochroman-4-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4S)-6-fluorothiochroman-4-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C19H19FN2O2S2 MolecularWeight: 390.494763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)N[C@H]3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C19H19FN2O2S2/c20-12-5-6-16-13(11-12)14(7-10-26-16)21-18(23)15-3-1-8-22(15)19(24)17-4-2-9-25-17/h2,4-6,9,11,14-15H,1,3,7-8,10H2,(H,21,23)/t14-,15-/m0/s1