ethyl 4-(4-bromophenyl)-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-isopropyl-3-methyl-phenoxy)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/c1-5-32-27(31)25-23(19-8-10-20(28)11-9-19)16-34-26(25)29-24(30)7-6-14-33-21-12-13-22(17(2)3)18(4)15-21/h8-13,15-17H,5-7,14H2,1-4H3,(H,29,30)