methyl 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2)OC)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C16H17BrN2O4S/c1-9-14(15(21)23-3)24-16(18-9)19-13(20)7-5-10-4-6-12(22-2)11(17)8-10/h4,6,8H,5,7H2,1-3H3,(H,18,19,20)