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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4S/c1-4-31-26(30)20-16-23(18-9-6-5-7-10-18)33-25(20)28-24(29)11-8-14-32-22-13-12-19(17(2)3)15-21(22)27/h5-7,9-10,12-13,15-17H,4,8,11,14H2,1-3H3,(H,28,29)