methyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(3,3-dimethyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3S/c1-18(2,3)9-14(21)20-16-15(17(22)23-4)13(10-24-16)11-5-7-12(19)8-6-11/h5-8,10H,9H2,1-4H3,(H,20,21)