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

Systemtic Name: ethyl (E)-3-[2-methylsulfanyl-1-(phenylcarbonylsulfanyl)indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzoylsulfanyl-2-methylsulfanyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-(benzoylthio)-2-(methylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzoylsulfanyl-2-methylsulfanylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[1-(benzoylthio)-2-(methylthio)indolizin-3-yl]acrylic acid ethyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S2/c1-3-25-18(23)13-12-17-19(26-2)20(16-11-7-8-14-22(16)17)27-21(24)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3/b13-12+