[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=C(C=CC(=C2)Br)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CSC(=N1)C2=C(C=CC(=C2)Br)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21BrN2O5S/c1-12(2)18(24-19(25)17-5-4-8-28-17)21(26)29-10-14-11-30-20(23-14)15-9-13(22)6-7-16(15)27-3/h4-9,11-12,18H,10H2,1-3H3,(H,24,25)