ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-7,9-dimethyl-1-oxidanylidene-thieno[3,2-a]indolizine-4-carboxylate

Systemtic Name: ethyl (2E)-2-[(4-bromophenyl)-oxidanyl-methylidene]-7,9-dimethyl-1-oxidanylidene-thieno[3,2-a]indolizine-4-carboxylate Openeye Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-7,9-dimethyl-1-oxo-thieno[3,2-a]indolizine-4-carboxylate CAS Name: (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-7,9-dimethyl-1-oxo-4-thieno[3,2-a]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-bromophenyl)-hydroxymethylidene]-7,9-dimethyl-1-oxothieno[3,2-a]indolizine-4-carboxylate Traditional Name: (2E)-2-[(4-bromophenyl)-hydroxy-methylene]-1-keto-7,9-dimethyl-thien[3,2-a]indolizine-4-carboxylic acid ethyl ester Formula: C22H18BrNO4S MolecularWeight: 472.35162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=O)C(=C(C4=CC=C(C=C4)Br)O)S2

Isomeric SMILES

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=O)/C(=C(/C4=CC=C(C=C4)Br)\O)/S2

InChI

InChI=1S/C22H18BrNO4S/c1-4-28-22(27)17-20-15(16-12(3)9-11(2)10-24(16)17)19(26)21(29-20)18(25)13-5-7-14(23)8-6-13/h5-10,25H,4H2,1-3H3/b21-18+