methyl 2-[1-(3-bromanylthiophen-2-yl)ethylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[1-(3-bromanylthiophen-2-yl)ethylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[1-(3-bromo-2-thienyl)ethylamino]-3-methyl-pentanoate CAS Name: 2-[1-(3-bromo-2-thiophenyl)ethylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylpentanoate Traditional Name: 2-[1-(3-bromo-2-thienyl)ethylamino]-3-methyl-valeric acid methyl ester Formula: C13H20BrNO2S MolecularWeight: 334.2724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(C)C1=C(C=CS1)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(C)C1=C(C=CS1)Br

InChI

InChI=1S/C13H20BrNO2S/c1-5-8(2)11(13(16)17-4)15-9(3)12-10(14)6-7-18-12/h6-9,11,15H,5H2,1-4H3