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

Systemtic Name: methyl 4-[2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=NC(=CS1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)COC(=O)NC1=NC(=CS1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O5S/c1-11(2)9-26-18(24)21-17-20-14(10-27-17)8-15(22)19-13-6-4-12(5-7-13)16(23)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)(H,20,21,24)