ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C22H28BrNO4S/c1-6-27-22(26)20-14(4)15(5)29-21(20)24-19(25)8-7-11-28-18-10-9-16(13(2)3)12-17(18)23/h9-10,12-13H,6-8,11H2,1-5H3,(H,24,25)