ethyl 1-(4-bromophenyl)carbonyl-6,8-dimethyl-2-methylsulfanyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)carbonyl-6,8-dimethyl-2-methylsulfanyl-indolizine-3-carboxylate Openeye Name: ethyl 1-(4-bromobenzoyl)-6,8-dimethyl-2-methylsulfanyl-indolizine-3-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-6,8-dimethyl-2-(methylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromobenzoyl)-6,8-dimethyl-2-methylsulfanylindolizine-3-carboxylate Traditional Name: 1-(4-bromobenzoyl)-6,8-dimethyl-2-(methylthio)indolizine-3-carboxylic acid ethyl ester Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C(=O)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C(=O)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C21H20BrNO3S/c1-5-26-21(25)18-20(27-4)16(17-13(3)10-12(2)11-23(17)18)19(24)14-6-8-15(22)9-7-14/h6-11H,5H2,1-4H3