[5-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-3-ethynyl-2-nitro-phenyl]carbamic acid

Systemtic Name: [5-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-3-ethynyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethynyl-2-nitro-phenyl]carbamic acid CAS Name: [5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethynyl-2-nitrophenyl]carbamic acid IUPAC Name: [5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethynyl-2-nitrophenyl]carbamic acid Traditional Name: [5-(1,1-diketo-1,4-thiazinan-4-yl)-3-ethynyl-2-nitro-phenyl]carbamic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCS(=O)(=O)CC2

Isomeric SMILES

C#CC1=CC(=CC(=C1[N+](=O)[O-])NC(=O)O)N2CCS(=O)(=O)CC2

InChI

InChI=1S/C13H13N3O6S/c1-2-9-7-10(15-3-5-23(21,22)6-4-15)8-11(14-13(17)18)12(9)16(19)20/h1,7-8,14H,3-6H2,(H,17,18)