[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-10(2)8-16-15(19)11(3)22-14(18)9-23-13-6-4-12(5-7-13)17(20)21/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)/t11-/m0/s1