(phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl)acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(phenylmethylthio)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenylpyrazin-1-yl)acetate Traditional Name: 2-[3-(benzylthio)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)SCC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)SCC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O3S/c27-24-23(21-14-8-3-9-15-21)29(16-22(30)32-17-19-10-4-1-5-11-19)26(31)25(28-24)33-18-20-12-6-2-7-13-20/h1-15H,16-18H2