methyl 3-(pyrazin-2-ylcarbonylamino)-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 3-(pyrazin-2-ylcarbonylamino)-5-[(2-pyridin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 3-(pyrazine-2-carbonylamino)-5-[[[2-(2-pyridylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 3-[[oxo(2-pyrazinyl)methyl]amino]-5-[[[1-oxo-2-(2-pyridinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(pyrazine-2-carbonylamino)-5-[[(2-pyridin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 3-(pyrazinoylamino)-5-[[[2-(2-pyridylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)CNC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC=CN=C2)CNC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H19N5O4S/c1-30-21(29)15-8-14(11-25-18(27)13-31-19-4-2-3-5-24-19)9-16(10-15)26-20(28)17-12-22-6-7-23-17/h2-10,12H,11,13H2,1H3,(H,25,27)(H,26,28)