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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-mercapto-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-mercapto-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C20H14BrNO3S2 MolecularWeight: 460.36406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)S

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)S

InChI

InChI=1S/C20H14BrNO3S2/c1-2-25-19(24)14-13-5-3-4-10-22(13)16-15(14)18(27-20(16)26)17(23)11-6-8-12(21)9-7-11/h3-10,26H,2H2,1H3