2-methoxy-6-nitro-4-[(Z)-[4-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 4-[(Z)-[3-(2-isopropoxy-2-oxo-ethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-[4-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Traditional Name: 4-[(Z)-[3-(2-isopropoxy-2-keto-ethyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C16H15N2O7S2- MolecularWeight: 411.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])SC1=S

Isomeric SMILES

CC(C)OC(=O)CN1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C16H16N2O7S2/c1-8(2)25-13(19)7-17-15(21)12(27-16(17)26)6-9-4-10(18(22)23)14(20)11(5-9)24-3/h4-6,8,20H,7H2,1-3H3/p-1/b12-6-