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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(isovalerylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO3S/c1-10(2)8-14(20)19-16-15(17(21)22-3)13(9-23-16)11-4-6-12(18)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,20)