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

Systemtic Name: ethyl 1-(2-oxidanylidenepropylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-acetonylsulfanyl-3-benzoyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(2-oxopropylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(2-oxopropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(acetonylthio)-3-benzoyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO4S2/c1-3-28-22(27)17-16-11-7-8-12-24(16)19-18(17)21(30-23(19)29-13-14(2)25)20(26)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3