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

Systemtic Name: ethyl 1-but-2-ynylsulfanyl-3-(4-chlorophenyl)carbonyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-but-2-ynylsulfanyl-3-(4-chlorobenzoyl)-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-(but-2-ynylthio)-3-[(4-chlorophenyl)-oxomethyl]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-but-2-ynylsulfanyl-3-(4-chlorobenzoyl)-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(but-2-ynylthio)-3-(4-chlorobenzoyl)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H20ClNO3S2 MolecularWeight: 482.0142

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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)Cl)SCC#CC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClNO3S2/c1-4-6-13-31-25-21-20(23(32-25)22(28)16-7-9-17(26)10-8-16)19(24(29)30-5-2)18-14-15(3)11-12-27(18)21/h7-12,14H,5,13H2,1-3H3