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

Systemtic Name: methyl (2R)-4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H18BrNO3S2 MolecularWeight: 404.34232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C15H18BrNO3S2/c1-10-7-11(16)3-4-12(10)22-9-14(18)17-5-6-21-13(8-17)15(19)20-2/h3-4,7,13H,5-6,8-9H2,1-2H3/t13-/m1/s1