ethyl 2-(4-bromophenyl)carbonyl-1,6-dimethyl-thieno[2,3-b]indolizine-4-carboxylate

Systemtic Name: ethyl 2-(4-bromophenyl)carbonyl-1,6-dimethyl-thieno[2,3-b]indolizine-4-carboxylate Openeye Name: ethyl 2-(4-bromobenzoyl)-1,6-dimethyl-thieno[2,3-b]indolizine-4-carboxylate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-1,6-dimethyl-4-thieno[2,3-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-bromobenzoyl)-1,6-dimethylthieno[2,3-b]indolizine-4-carboxylate Traditional Name: 2-(4-bromobenzoyl)-1,6-dimethyl-thien[2,3-b]indolizine-4-carboxylic acid ethyl ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3C)C(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3C)C(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H18BrNO3S/c1-4-27-22(26)17-16-11-12(2)9-10-24(16)18-13(3)20(28-21(17)18)19(25)14-5-7-15(23)8-6-14/h5-11H,4H2,1-3H3