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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-ethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(ethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(ethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C22H18BrNO3S2 MolecularWeight: 488.41722

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3S2/c1-3-27-21(26)16-15-7-5-6-12-24(15)18-17(16)20(29-22(18)28-4-2)19(25)13-8-10-14(23)11-9-13/h5-12H,3-4H2,1-2H3