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

Systemtic Name: ethyl 1-but-2-ynylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-but-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(but-2-ynylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-but-2-ynylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(but-2-ynylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H19NO3S2 MolecularWeight: 433.54256

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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#CC

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO3S2/c1-3-5-15-29-24-20-19(22(30-24)21(26)16-11-7-6-8-12-16)18(23(27)28-4-2)17-13-9-10-14-25(17)20/h6-14H,4,15H2,1-2H3