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

Systemtic Name: ethyl 6-methyl-1-(2-oxidanylidenepropylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-acetonylsulfanyl-3-benzoyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(2-oxopropylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-(2-oxopropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(acetonylthio)-3-benzoyl-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO4S2/c1-4-29-23(28)18-17-12-14(2)10-11-25(17)20-19(18)22(31-24(20)30-13-15(3)26)21(27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3