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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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