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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-ethylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(ethylthio)-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-ethylsulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(ethylthio)-6-methyl-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=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC)C

Isomeric SMILES

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

InChI

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