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

Systemtic Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[2-[(4-bromophenyl)methylthio]-1-cyano-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyanoindolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[2-[(4-bromobenzyl)thio]-1-cyano-indolizin-3-yl]acrylic acid ethyl ester Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2S/c1-2-26-20(25)11-10-19-21(27-14-15-6-8-16(22)9-7-15)17(13-23)18-5-3-4-12-24(18)19/h3-12H,2,14H2,1H3/b11-10+