ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H24BrNO4S MolecularWeight: 502.42066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H24BrNO4S/c1-4-16-9-11-17(12-10-16)20-14-31-23(21(20)24(28)29-5-2)26-22(27)15(3)30-19-8-6-7-18(25)13-19/h6-15H,4-5H2,1-3H3,(H,26,27)