[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)O[C@H](C)C(=O)NC2CCCCC2

InChI

InChI=1S/C18H24BrNO3S/c1-12-10-14(19)8-9-16(12)24-11-17(21)23-13(2)18(22)20-15-6-4-3-5-7-15/h8-10,13,15H,3-7,11H2,1-2H3,(H,20,22)/t13-/m1/s1