(2S)-N-ethyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]propionamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-3-14-13(18)9(2)15-12(17)8-21-11-6-4-10(5-7-11)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,15,17)/t9-/m0/s1