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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-phenacylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-phenacylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(phenacylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-phenacylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(phenacylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H20BrNO4S2 MolecularWeight: 578.4967

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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)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H20BrNO4S2/c1-2-34-27(33)22-20-10-6-7-15-30(20)24-23(22)26(25(32)18-11-13-19(29)14-12-18)36-28(24)35-16-21(31)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3