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

Systemtic Name: methyl 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-ethyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-ethyl-thiazole-5-carboxylic acid methyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C(=O)OC

InChI

InChI=1S/C18H21BrN2O5S/c1-5-12-16(17(23)26-4)27-18(20-12)21-15(22)7-6-10-8-13(24-2)14(25-3)9-11(10)19/h8-9H,5-7H2,1-4H3,(H,20,21,22)