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

Systemtic Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-(9-anthrylmethylsulfanyl)-3-benzoyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-(9-anthracenylmethylthio)-3-benzoyl-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-benzoyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(9-anthrylmethylthio)-3-benzoyl-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C36H27NO3S2 MolecularWeight: 585.73448

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H27NO3S2/c1-3-40-35(39)30-29-19-22(2)17-18-37(29)32-31(30)34(33(38)23-11-5-4-6-12-23)42-36(32)41-21-28-26-15-9-7-13-24(26)20-25-14-8-10-16-27(25)28/h4-20H,3,21H2,1-2H3