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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-[(4-cyanophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(4-cyanophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[(4-cyanophenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-[(4-cyanophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[(4-cyanobenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H19BrN2O3S2 MolecularWeight: 575.49606

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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=CC=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H19BrN2O3S2/c1-2-34-27(33)22-21-5-3-4-14-31(21)24-23(22)26(25(32)19-10-12-20(29)13-11-19)36-28(24)35-16-18-8-6-17(15-30)7-9-18/h3-14H,2,16H2,1H3