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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyrazin-1-yl]ethanoic acid Openeye Name: 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl)acetic acid CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(phenylmethylthio)-1-pyrazinyl]acetic acid IUPAC Name: 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenylpyrazin-1-yl)acetic acid Traditional Name: 2-[3-(benzylthio)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H15ClN2O3S/c20-17-16(14-9-5-2-6-10-14)22(11-15(23)24)19(25)18(21-17)26-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,23,24)