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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-ethylsulfanyl-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanyl-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(ethylthio)-5,7-dimethyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanyl-5,7-dimethylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(ethylthio)-5,7-dimethyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H22BrNO3S2 MolecularWeight: 516.47038

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrNO3S2/c1-5-29-23(28)18-17-20(26-12-13(3)11-14(4)19(18)26)24(30-6-2)31-22(17)21(27)15-7-9-16(25)10-8-15/h7-12H,5-6H2,1-4H3