ethyl 3-acetamido-6-(4-methylphenyl)-5-phenylsulfanyl-pyrazine-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-(4-methylphenyl)-5-phenylsulfanyl-pyrazine-2-carboxylate Openeye Name: ethyl 3-acetamido-5-phenylsulfanyl-6-(p-tolyl)pyrazine-2-carboxylate CAS Name: 3-acetamido-6-(4-methylphenyl)-5-(phenylthio)-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-(4-methylphenyl)-5-phenylsulfanylpyrazine-2-carboxylate Traditional Name: 3-acetamido-5-(phenylthio)-6-(p-tolyl)pyrazinic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(N=C1NC(=O)C)SC2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NC(=C(N=C1NC(=O)C)SC2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O3S/c1-4-28-22(27)19-20(23-15(3)26)25-21(29-17-8-6-5-7-9-17)18(24-19)16-12-10-14(2)11-13-16/h5-13H,4H2,1-3H3,(H,23,25,26)