[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C)C(=O)NC2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)O[C@H](C)C(=O)NC2CCCC2

InChI

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