[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate Openeye Name: [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)OC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)[C@H](C)OC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C21H20ClN3O3/c1-12-10-24-19(11-23-12)21(27)28-15(4)20(26)18-9-13(2)25(14(18)3)17-7-5-16(22)6-8-17/h5-11,15H,1-4H3/t15-/m0/s1