methyl 2-[(2-bromanyl-3-methyl-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-bromanyl-3-methyl-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-3-methyl-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-bromo-3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-3-methylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromo-3-methyl-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)Br

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)Br

InChI

InChI=1S/C15H20BrNO3S/c1-8(2)12(16)13(18)17-14-11(15(19)20-3)9-6-4-5-7-10(9)21-14/h8,12H,4-7H2,1-3H3,(H,17,18)