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

Systemtic Name: ethyl 4-[2-[2-(pyridin-3-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(3-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[[oxo-(3-pyridinylmethylamino)methyl]amino]-4-thiazolyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(pyridin-3-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(3-pyridylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-2-30-19(28)15-5-7-16(8-6-15)24-18(27)10-17-13-31-21(25-17)26-20(29)23-12-14-4-3-9-22-11-14/h3-9,11,13H,2,10,12H2,1H3,(H,24,27)(H2,23,25,26,29)