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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30BrNO4S MolecularWeight: 544.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C27H30BrNO4S/c1-5-32-27(31)25-21(19-10-8-18(4)9-11-19)16-34-26(25)29-24(30)7-6-14-33-23-13-12-20(17(2)3)15-22(23)28/h8-13,15-17H,5-7,14H2,1-4H3,(H,29,30)