ethyl 5-bromanyl-4-(2-methylpropyl)-2-(naphthalen-1-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-4-(2-methylpropyl)-2-(naphthalen-1-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-4-isobutyl-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate CAS Name: 5-bromo-4-(2-methylpropyl)-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-4-(2-methylpropyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate Traditional Name: 5-bromo-4-isobutyl-2-(1-naphthoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H22BrNO3S MolecularWeight: 460.38398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC(C)C)Br)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22BrNO3S/c1-4-27-22(26)18-17(12-13(2)3)19(23)28-21(18)24-20(25)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13H,4,12H2,1-3H3,(H,24,25)