methyl 3-azanyl-2-[[(2-pyridin-4-yl-1,3-thiazol-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[[(2-pyridin-4-yl-1,3-thiazol-4-yl)amino]methyl]benzoate Openeye Name: methyl 3-amino-2-[[[2-(4-pyridyl)thiazol-4-yl]amino]methyl]benzoate CAS Name: 3-amino-2-[[(2-pyridin-4-yl-4-thiazolyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[(2-pyridin-4-yl-1,3-thiazol-4-yl)amino]methyl]benzoate Traditional Name: 3-amino-2-[[[2-(4-pyridyl)thiazol-4-yl]amino]methyl]benzoic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)CNC2=CSC(=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)CNC2=CSC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-23-17(22)12-3-2-4-14(18)13(12)9-20-15-10-24-16(21-15)11-5-7-19-8-6-11/h2-8,10,20H,9,18H2,1H3