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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-benzylsulfanyl-3-(4-bromobenzoyl)-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-(phenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylsulfanyl-3-(4-bromobenzoyl)-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(benzylthio)-3-(4-bromobenzoyl)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H22BrNO3S2 MolecularWeight: 564.51318

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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=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C28H22BrNO3S2/c1-3-33-27(32)22-21-15-17(2)13-14-30(21)24-23(22)26(25(31)19-9-11-20(29)12-10-19)35-28(24)34-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3