ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(2-oxidanylidenepropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(2-oxidanylidenepropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-acetonylsulfanyl-3-(4-bromobenzoyl)-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-(2-oxopropylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(2-oxopropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(acetonylthio)-3-(4-bromobenzoyl)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H20BrNO4S2 MolecularWeight: 530.4539

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrNO4S2/c1-4-30-23(29)18-17-11-13(2)9-10-26(17)20-19(18)22(32-24(20)31-12-14(3)27)21(28)15-5-7-16(25)8-6-15/h5-11H,4,12H2,1-3H3