[(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [(2R)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [(1R)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@@H](C)OC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-3-14-13(17)9(2)20-12(16)8-21-11-7-5-4-6-10(11)15(18)19/h4-7,9H,3,8H2,1-2H3,(H,14,17)/t9-/m1/s1