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

Systemtic Name: butyl 4-[2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(isobutoxycarbonylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[[2-methylpropoxy(oxo)methyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(isobutoxycarbonylamino)thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-4-5-10-28-19(26)15-6-8-16(9-7-15)22-18(25)11-17-13-30-20(23-17)24-21(27)29-12-14(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,24,27)