ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-6,8-dimethyl-indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-6,8-dimethyl-indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-6,8-dimethyl-indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[2-[(4-bromophenyl)methylthio]-1-cyano-6,8-dimethyl-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(4-bromophenyl)methylsulfanyl]-1-cyano-6,8-dimethylindolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[2-[(4-bromobenzyl)thio]-1-cyano-6,8-dimethyl-indolizin-3-yl]acrylic acid ethyl ester Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-4-28-21(27)10-9-20-23(29-14-17-5-7-18(24)8-6-17)19(12-25)22-16(3)11-15(2)13-26(20)22/h5-11,13H,4,14H2,1-3H3/b10-9+