ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorophenyl)carbonyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorophenyl)carbonyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-(9-anthrylmethylsulfanyl)-3-(4-chlorobenzoyl)-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-(9-anthracenylmethylthio)-3-[(4-chlorophenyl)-oxomethyl]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(4-chlorobenzoyl)-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(9-anthrylmethylthio)-3-(4-chlorobenzoyl)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C36H26ClNO3S2 MolecularWeight: 620.17954

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

Isomeric SMILES

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

InChI

InChI=1S/C36H26ClNO3S2/c1-3-41-35(40)30-29-18-21(2)16-17-38(29)32-31(30)34(33(39)22-12-14-25(37)15-13-22)43-36(32)42-20-28-26-10-6-4-8-23(26)19-24-9-5-7-11-27(24)28/h4-19H,3,20H2,1-2H3