ethyl 3-(4-bromophenyl)carbonyl-1-[(2-cyanophenyl)methylsulfanyl]-6-methyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-[(2-cyanophenyl)methylsulfanyl]-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(2-cyanophenyl)methylsulfanyl]-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[(2-cyanophenyl)methylthio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-[(2-cyanophenyl)methylsulfanyl]-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[(2-cyanobenzyl)thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H21BrN2O3S2 MolecularWeight: 589.52264

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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)Br)SCC5=CC=CC=C5C#N)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=CC=CC=C5C#N)C

InChI

InChI=1S/C29H21BrN2O3S2/c1-3-35-28(34)23-22-14-17(2)12-13-32(22)25-24(23)27(26(33)18-8-10-21(30)11-9-18)37-29(25)36-16-20-7-5-4-6-19(20)15-31/h4-14H,3,16H2,1-2H3