methyl (2R)-4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H20BrNO3S2 MolecularWeight: 418.3689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C16H20BrNO3S2/c1-10-7-13(11(2)6-12(10)17)23-9-15(19)18-4-5-22-14(8-18)16(20)21-3/h6-7,14H,4-5,8-9H2,1-3H3/t14-/m1/s1