(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCC2CCCO2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C16H21N3O5S/c1-11(20)18-15(16(21)17-9-13-5-3-7-24-13)10-25-14-6-2-4-12(8-14)19(22)23/h2,4,6,8,13,15H,3,5,7,9-10H2,1H3,(H,17,21)(H,18,20)/t13-,15-/m1/s1