ethyl (E)-3-[3-(phenylmethylsulfanyl)pyrazin-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-(phenylmethylsulfanyl)pyrazin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(3-benzylsulfanylpyrazin-2-yl)prop-2-enoate CAS Name: (E)-3-[3-(phenylmethylthio)-2-pyrazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3-benzylsulfanylpyrazin-2-yl)prop-2-enoate Traditional Name: (E)-3-[3-(benzylthio)pyrazin-2-yl]acrylic acid ethyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=NC=CN=C1SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C1=NC=CN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-2-20-15(19)9-8-14-16(18-11-10-17-14)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b9-8+