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

Systemtic Name: methyl 2-[(5-bromanylthiophen-3-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-methyl-butanoate CAS Name: 2-[[(5-bromo-3-thiophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[(5-bromothiophene-3-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C11H14BrNO3S MolecularWeight: 320.20276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO3S/c1-6(2)9(11(15)16-3)13-10(14)7-4-8(12)17-5-7/h4-6,9H,1-3H3,(H,13,14)