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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(isobutyrylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3S/c1-9(2)14(19)18-15-13(16(20)21-3)12(8-22-15)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19)