(2S)-2-acetamido-N-tert-butyl-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-tert-butyl-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-tert-butyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-tert-butyl-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-tert-butyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-tert-butyl-3-[(3-nitrophenyl)thio]propionamide Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-10(19)16-13(14(20)17-15(2,3)4)9-23-12-7-5-6-11(8-12)18(21)22/h5-8,13H,9H2,1-4H3,(H,16,19)(H,17,20)/t13-/m1/s1