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

Systemtic Name: ethyl (E)-3-[7-methyl-2-methylsulfanyl-1-(phenylcarbonylsulfanyl)indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzoylsulfanyl-7-methyl-2-methylsulfanyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-(benzoylthio)-7-methyl-2-(methylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzoylsulfanyl-7-methyl-2-methylsulfanylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[1-(benzoylthio)-7-methyl-2-(methylthio)indolizin-3-yl]acrylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=CC(=C2)C)SC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=C2N1C=CC(=C2)C)SC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H21NO3S2/c1-4-26-19(24)11-10-17-20(27-3)21(18-14-15(2)12-13-23(17)18)28-22(25)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3/b11-10+