ethyl 3-(4-bromophenyl)carbonyl-5,7-dimethyl-1-methylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-5,7-dimethyl-1-methylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-5,7-dimethyl-1-methylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-5,7-dimethyl-1-(methylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-5,7-dimethyl-1-methylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-5,7-dimethyl-1-(methylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H20BrNO3S2 MolecularWeight: 502.4438

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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)SC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrNO3S2/c1-5-28-22(27)17-16-19(25-11-12(2)10-13(3)18(17)25)23(29-4)30-21(16)20(26)14-6-8-15(24)9-7-14/h6-11H,5H2,1-4H3