butyl 4-[2-[2-(furan-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(furan-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(2-furylmethylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(furan-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(2-furfurylcarbamoylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H24N4O5S/c1-2-3-10-31-20(28)15-6-8-16(9-7-15)24-19(27)12-17-14-32-22(25-17)26-21(29)23-13-18-5-4-11-30-18/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,24,27)(H2,23,25,26,29)