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

Systemtic Name: butyl 4-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(2-methylpropanoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(isobutyrylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-4-5-10-27-19(26)14-6-8-15(9-7-14)21-17(24)11-16-12-28-20(22-16)23-18(25)13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,23,25)