methyl (2S)-2-[(5-bromanylthiophen-3-yl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-bromanylthiophen-3-yl)methylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(5-bromo-3-thienyl)methylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(5-bromo-3-thiophenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-bromothiophen-3-yl)methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-bromo-3-thienyl)methylamino]-3-methyl-butyric acid methyl ester Formula: C11H16BrNO2S MolecularWeight: 306.21924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CSC(=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1=CSC(=C1)Br

InChI

InChI=1S/C11H16BrNO2S/c1-7(2)10(11(14)15-3)13-5-8-4-9(12)16-6-8/h4,6-7,10,13H,5H2,1-3H3/t10-/m0/s1