(2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-9(18)15-12(13(19)14-5-6-17)8-22-11-4-2-3-10(7-11)16(20)21/h2-4,7,12,17H,5-6,8H2,1H3,(H,14,19)(H,15,18)/t12-/m1/s1