N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-[(5-nitropyridin-2-yl)amino]propanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-[(5-nitropyridin-2-yl)amino]propanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(5-nitro-2-pyridyl)amino]propanamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3-[(5-nitro-2-pyridinyl)amino]propanamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(5-nitropyridin-2-yl)amino]propanamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-3-[(5-nitro-2-pyridyl)amino]propionamide Formula: C12H16N4O5S MolecularWeight: 328.34424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CCNC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)CCNC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5S/c17-12(15-9-4-6-22(20,21)8-9)3-5-13-11-2-1-10(7-14-11)16(18)19/h1-2,7,9H,3-6,8H2,(H,13,14)(H,15,17)/t9-/m0/s1