methyl 5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylate

Systemtic Name: methyl 5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylate Openeye Name: methyl 5-[(E)-2-(2-benzyloxy-5-methylsulfanyl-phenyl)vinyl]pyrazine-2-carboxylate CAS Name: 5-[(E)-2-[5-(methylthio)-2-phenylmethoxyphenyl]ethenyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]pyrazine-2-carboxylate Traditional Name: 5-[(E)-2-[2-benzoxy-5-(methylthio)phenyl]vinyl]pyrazinic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(N=C1)C=CC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC=C(N=C1)/C=C/C2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-26-22(25)20-14-23-18(13-24-20)9-8-17-12-19(28-2)10-11-21(17)27-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3/b9-8+