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

Systemtic Name: ethyl 5-bromanyl-2-[(3-chlorophenyl)carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[(3-chlorobenzoyl)amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[(3-chlorophenyl)-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[(3-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 5-bromo-2-[(3-chlorobenzoyl)amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19BrClNO3S MolecularWeight: 444.77036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClNO3S/c1-4-24-18(23)14-13(8-10(2)3)15(19)25-17(14)21-16(22)11-6-5-7-12(20)9-11/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)