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

Systemtic Name: [(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [(2R)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [(1R)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCNC(=O)[C@@H](C)OC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C14H18BrNO3S/c1-4-16-14(18)10(3)19-13(17)8-20-12-6-5-11(15)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,16,18)/t10-/m1/s1