ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-1-oxidanylidene-thieno[2,3-b]indolizine-4-carboxylate

Systemtic Name: ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-1-oxidanylidene-thieno[2,3-b]indolizine-4-carboxylate Openeye Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-1-oxo-thieno[2,3-b]indolizine-4-carboxylate CAS Name: (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-1-oxo-4-thieno[2,3-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-1-oxothieno[2,3-b]indolizine-4-carboxylate Traditional Name: (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-1-keto-thien[2,3-b]indolizine-4-carboxylic acid ethyl ester Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C1SC(=C(C4=CC=C(C=C4)Br)O)C3=O

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C1S/C(=C(\C4=CC=C(C=C4)Br)/O)/C3=O

InChI

InChI=1S/C20H14BrNO4S/c1-2-26-20(25)14-13-5-3-4-10-22(13)15-17(24)19(27-18(14)15)16(23)11-6-8-12(21)9-7-11/h3-10,23H,2H2,1H3/b19-16+