ethyl 5-bromanyl-2-[(4-methylphenyl)carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[(4-methylphenyl)carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-4-isobutyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-bromo-2-[[(4-methylphenyl)-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[(4-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 5-bromo-4-isobutyl-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22BrNO3S/c1-5-24-19(23)15-14(10-11(2)3)16(20)25-18(15)21-17(22)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3,(H,21,22)