ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-7-methyl-indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-7-methyl-indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-7-methyl-indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[2-[(4-bromophenyl)methylthio]-1-cyano-7-methyl-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-7-methylindolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[2-[(4-bromobenzyl)thio]-1-cyano-7-methyl-indolizin-3-yl]acrylic acid ethyl ester Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=CC(=C2)C)C#N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=C2N1C=CC(=C2)C)C#N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-3-27-21(26)9-8-19-22(28-14-16-4-6-17(23)7-5-16)18(13-24)20-12-15(2)10-11-25(19)20/h4-12H,3,14H2,1-2H3/b9-8+