methyl 4-(4-bromophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-ethyl-1-oxohexyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(2-ethylhexanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H24BrNO3S MolecularWeight: 438.37846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C20H24BrNO3S/c1-4-6-7-13(5-2)18(23)22-19-17(20(24)25-3)16(12-26-19)14-8-10-15(21)11-9-14/h8-13H,4-7H2,1-3H3,(H,22,23)