ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)Br

InChI

InChI=1S/C18H21BrN2O4S/c1-4-6-12-7-8-14(13(19)9-12)25-10-15(22)21-18-20-11(3)16(26-18)17(23)24-5-2/h7-9H,4-6,10H2,1-3H3,(H,20,21,22)