ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C26H28BrNO4S/c1-4-18-9-11-19(12-10-18)20-16-33-25(24(20)26(30)31-5-2)28-23(29)7-6-14-32-22-13-8-17(3)15-21(22)27/h8-13,15-16H,4-7,14H2,1-3H3,(H,28,29)