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

Systemtic Name: methyl 2-[(4-bromanylthiophen-2-yl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(4-bromo-2-thienyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(4-bromo-2-thiophenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromothiophen-2-yl)methylamino]-3-methylpentanoate Traditional Name: 2-[(4-bromo-2-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=CC(=CS1)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC(=CS1)Br

InChI

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