ethyl 3-[2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[3-(phenylthio)-2-pyrazinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-(phenylthio)pyrazin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S2/c1-2-27-21(26)15-7-6-8-16(13-15)24-18(25)14-28-19-20(23-12-11-22-19)29-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,24,25)