methyl 4-[2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H19N5O4S/c1-29-18(27)14-2-4-15(5-3-14)23-17(26)10-16-12-30-20(24-16)25-19(28)22-11-13-6-8-21-9-7-13/h2-9,12H,10-11H2,1H3,(H,23,26)(H2,22,24,25,28)