methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C15H20BrNO3S/c1-9(2)14(15(19)20-4)17-13(18)8-21-12-6-5-11(16)7-10(12)3/h5-7,9,14H,8H2,1-4H3,(H,17,18)