ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-6-methyl-1-oxidanylidene-thieno[2,3-b]indolizine-4-carboxylate

Systemtic Name: ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-6-methyl-1-oxidanylidene-thieno[2,3-b]indolizine-4-carboxylate Openeye Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-6-methyl-1-oxo-thieno[2,3-b]indolizine-4-carboxylate CAS Name: (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-6-methyl-1-oxo-4-thieno[2,3-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-6-methyl-1-oxothieno[2,3-b]indolizine-4-carboxylate Traditional Name: (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-1-keto-6-methyl-thien[2,3-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO4S/c1-3-27-21(26)15-14-10-11(2)8-9-23(14)16-18(25)20(28-19(15)16)17(24)12-4-6-13(22)7-5-12/h4-10,24H,3H2,1-2H3/b20-17+