methyl 2-[(5-bromanylthiophen-3-yl)methylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(5-bromanylthiophen-3-yl)methylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(5-bromo-3-thienyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(5-bromo-3-thiophenyl)methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromothiophen-3-yl)methylamino]-4-methylpentanoate Traditional Name: 2-[(5-bromo-3-thienyl)methylamino]-4-methyl-valeric acid methyl ester Formula: C12H18BrNO2S MolecularWeight: 320.24582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO2S/c1-8(2)4-10(12(15)16-3)14-6-9-5-11(13)17-7-9/h5,7-8,10,14H,4,6H2,1-3H3