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

Systemtic Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-(9-anthrylmethylsulfanyl)-3-benzoyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-(9-anthracenylmethylthio)-3-benzoyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(anthracen-9-ylmethylsulfanyl)-3-benzoylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(9-anthrylmethylthio)-3-benzoyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C35H25NO3S2 MolecularWeight: 571.7079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H25NO3S2/c1-2-39-34(38)29-28-18-10-11-19-36(28)31-30(29)33(32(37)22-12-4-3-5-13-22)41-35(31)40-21-27-25-16-8-6-14-23(25)20-24-15-7-9-17-26(24)27/h3-20H,2,21H2,1H3