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

Systemtic Name: methyl 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-methyl-pentanoate CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methylpentanoate Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-methyl-valeric acid methyl ester Formula: C15H22BrNO3S MolecularWeight: 376.30908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCCC1=CC=C(S1)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CCCC1=CC=C(S1)Br

InChI

InChI=1S/C15H22BrNO3S/c1-10(2)9-12(15(19)20-3)17-14(18)6-4-5-11-7-8-13(16)21-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)