(2R,4Z)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2R,4Z)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2R,4Z)-4-[(5-bromo-2-thienyl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4Z)-4-[(5-bromo-2-thiophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2R,4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4Z)-4-[(5-bromo-2-thienyl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Formula: C20H15BrNO2S- MolecularWeight: 413.3076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=C(S2)Br)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C/C(=C/C2=CC=C(S2)Br)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C20H16BrNO2S/c1-11-8-12(10-13-6-7-17(21)25-13)19-15(9-11)18(20(23)24)14-4-2-3-5-16(14)22-19/h2-7,10-11H,8-9H2,1H3,(H,23,24)/p-1/b12-10-/t11-/m1/s1