ethyl 3-(4-chlorophenyl)carbonyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(3-methylbut-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-(3-methylbut-2-enylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H22ClNO3S2 MolecularWeight: 484.03008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO3S2/c1-4-30-24(29)19-18-7-5-6-13-27(18)21-20(19)23(32-25(21)31-14-12-15(2)3)22(28)16-8-10-17(26)11-9-16/h5-13H,4,14H2,1-3H3