3-[6-(5-nitro-2-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid

Systemtic Name: 3-[6-(5-nitro-2-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Openeye Name: 3-[6-(2-hydroxy-5-nitro-phenyl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]propanoic acid CAS Name: 3-[6-(2-hydroxy-5-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid IUPAC Name: 3-[6-(2-hydroxy-5-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Traditional Name: 3-[6-(2-hydroxy-5-nitro-phenyl)-4-keto-2-thioxo-1,3-thiazin-3-yl]propionic acid Formula: C13H10N2O6S2 MolecularWeight: 354.3583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC(=O)N(C(=S)S2)CCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC(=O)N(C(=S)S2)CCC(=O)O)O

InChI

InChI=1S/C13H10N2O6S2/c16-9-2-1-7(15(20)21)5-8(9)10-6-11(17)14(13(22)23-10)4-3-12(18)19/h1-2,5-6,16H,3-4H2,(H,18,19)