ethyl (2S)-2-[3,5-bis(chloranyl)-2-methyl-6-oxidanylidene-pyrazin-1-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[3,5-bis(chloranyl)-2-methyl-6-oxidanylidene-pyrazin-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(3,5-dichloro-2-methyl-6-oxo-pyrazin-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(3,5-dichloro-2-methyl-6-oxo-1-pyrazinyl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(3,5-dichloro-2-keto-6-methyl-pyrazin-1-yl)-3-phenyl-propionic acid ethyl ester Formula: C16H16Cl2N2O3 MolecularWeight: 355.21584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2C(=C(N=C(C2=O)Cl)Cl)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N2C(=C(N=C(C2=O)Cl)Cl)C

InChI

InChI=1S/C16H16Cl2N2O3/c1-3-23-16(22)12(9-11-7-5-4-6-8-11)20-10(2)13(17)19-14(18)15(20)21/h4-8,12H,3,9H2,1-2H3/t12-/m0/s1