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

Systemtic Name: ethyl (E)-3-[2-(acetyloxymethylsulfanyl)-1-cyano-7-methyl-indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-(acetoxymethylsulfanyl)-1-cyano-7-methyl-indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[2-(acetyloxymethylthio)-1-cyano-7-methyl-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(acetyloxymethylsulfanyl)-1-cyano-7-methylindolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[2-(acetoxymethylthio)-1-cyano-7-methyl-indolizin-3-yl]acrylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-4-23-17(22)6-5-15-18(25-11-24-13(3)21)14(10-19)16-9-12(2)7-8-20(15)16/h5-9H,4,11H2,1-3H3/b6-5+