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

Systemtic Name: ethyl (E)-3-(1-cyano-7-methyl-2-methylsulfanyl-indolizin-3-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(1-cyano-7-methyl-2-methylsulfanyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-cyano-7-methyl-2-(methylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-cyano-7-methyl-2-methylsulfanylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[1-cyano-7-methyl-2-(methylthio)indolizin-3-yl]acrylic acid ethyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=CC(=C2)C)C#N)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-4-20-15(19)6-5-13-16(21-3)12(10-17)14-9-11(2)7-8-18(13)14/h5-9H,4H2,1-3H3/b6-5+