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

Systemtic Name: ethyl (E)-3-(1-cyano-2-ethylsulfanyl-7-methyl-indolizin-3-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(1-cyano-2-ethylsulfanyl-7-methyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-cyano-2-(ethylthio)-7-methyl-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-cyano-2-ethylsulfanyl-7-methylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[1-cyano-2-(ethylthio)-7-methyl-indolizin-3-yl]acrylic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-4-21-16(20)7-6-14-17(22-5-2)13(11-18)15-10-12(3)8-9-19(14)15/h6-10H,4-5H2,1-3H3/b7-6+