1-(2-bromophenyl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(2-bromophenyl)-N-(6-fluorothiochroman-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-bromophenyl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(2-bromophenyl)-N-(6-fluorothiochroman-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H18BrFN2O2S MolecularWeight: 449.336523

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br)C=C(C=C2)F

InChI

InChI=1S/C20H18BrFN2O2S/c21-15-3-1-2-4-17(15)24-11-12(9-19(24)25)20(26)23-16-7-8-27-18-6-5-13(22)10-14(16)18/h1-6,10,12,16H,7-9,11H2,(H,23,26)