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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3S/c1-5-17-15(19)11(4)20-14(18)8-21-13-7-9(2)12(16)6-10(13)3/h6-7,11H,5,8H2,1-4H3,(H,17,19)/t11-/m0/s1