ethyl 3-(4-bromophenyl)carbonyl-1-(naphthalen-2-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-(naphthalen-2-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-(2-naphthylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(2-naphthalenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-(naphthalen-2-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(2-naphthylmethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C31H22BrNO3S2 MolecularWeight: 600.54528

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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)Br)SCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H22BrNO3S2/c1-2-36-30(35)25-24-9-5-6-16-33(24)27-26(25)29(28(34)21-12-14-23(32)15-13-21)38-31(27)37-18-19-10-11-20-7-3-4-8-22(20)17-19/h3-17H,2,18H2,1H3