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

Systemtic Name: ethyl 1-but-2-ynylsulfanyl-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-but-2-ynylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(but-2-ynylthio)-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-but-2-ynylsulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(but-2-ynylthio)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H21NO3S2 MolecularWeight: 447.56914

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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#CC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO3S2/c1-4-6-14-30-25-21-20(23(31-25)22(27)17-10-8-7-9-11-17)19(24(28)29-5-2)18-15-16(3)12-13-26(18)21/h7-13,15H,5,14H2,1-3H3