(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-propyl-propanamide

Systemtic Name: (2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-propyl-propanamide Openeye Name: (2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-propyl-propanamide CAS Name: (2R)-2-acetamido-3-[(3-nitrophenyl)thio]-N-propylpropanamide IUPAC Name: (2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-propylpropanamide Traditional Name: (2R)-2-acetamido-3-[(3-nitrophenyl)thio]-N-propyl-propionamide Formula: C14H19N3O4S MolecularWeight: 325.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-3-7-15-14(19)13(16-10(2)18)9-22-12-6-4-5-11(8-12)17(20)21/h4-6,8,13H,3,7,9H2,1-2H3,(H,15,19)(H,16,18)/t13-/m0/s1