ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylamino]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)Br)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

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