ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorophenyl)carbonyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorophenyl)carbonyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-(9-anthrylmethylsulfanyl)-3-(4-chlorobenzoyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-(9-anthracenylmethylthio)-3-[(4-chlorophenyl)-oxomethyl]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorobenzoyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(9-anthrylmethylthio)-3-(4-chlorobenzoyl)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C35H24ClNO3S2 MolecularWeight: 606.15296

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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)SCC5=C6C=CC=CC6=CC7=CC=CC=C75

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC5=C6C=CC=CC6=CC7=CC=CC=C75

InChI

InChI=1S/C35H24ClNO3S2/c1-2-40-34(39)29-28-13-7-8-18-37(28)31-30(29)33(32(38)21-14-16-24(36)17-15-21)42-35(31)41-20-27-25-11-5-3-9-22(25)19-23-10-4-6-12-26(23)27/h3-19H,2,20H2,1H3