(2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-ethyl-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S/c1-3-17(7-8-19)15(21)14(16-11(2)20)10-24-13-6-4-5-12(9-13)18(22)23/h4-6,9,14,19H,3,7-8,10H2,1-2H3,(H,16,20)/t14-/m0/s1