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

Systemtic Name: methyl 2-[(5-bromanylthiophen-3-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(5-bromothiophene-3-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(5-bromo-3-thiophenyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(5-bromothiophene-3-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C12H16BrNO3S MolecularWeight: 334.22934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO3S/c1-7(2)4-9(12(16)17-3)14-11(15)8-5-10(13)18-6-8/h5-7,9H,4H2,1-3H3,(H,14,15)