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

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-prop-2-enylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-allylsulfanyl-3-(4-chlorobenzoyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(prop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-prop-2-enylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(allylthio)-3-(4-chlorobenzoyl)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H18ClNO3S2 MolecularWeight: 455.97692

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClNO3S2/c1-3-13-29-23-19-18(21(30-23)20(26)14-8-10-15(24)11-9-14)17(22(27)28-4-2)16-7-5-6-12-25(16)19/h3,5-12H,1,4,13H2,2H3