methyl 3-[(2-bromanyl-3-methyl-butanoyl)amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(2-bromanyl-3-methyl-butanoyl)amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(2-bromo-3-methyl-butanoyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[(2-bromo-3-methyl-1-oxobutyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-bromo-3-methylbutanoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-bromo-3-methyl-butanoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC)Br

Isomeric SMILES

CC(C)C(C(=O)NC1=C(SC2=CC=CC=C21)C(=O)OC)Br

InChI

InChI=1S/C15H16BrNO3S/c1-8(2)11(16)14(18)17-12-9-6-4-5-7-10(9)21-13(12)15(19)20-3/h4-8,11H,1-3H3,(H,17,18)