ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC)Br

InChI

InChI=1S/C21H26BrNO4S/c1-4-14-9-10-18(17(22)12-14)27-11-7-8-19(24)23-20-16(21(25)26-6-3)13-15(5-2)28-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,23,24)