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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S2/c1-3-4-25-13(19)8-17-15(21)12(27-16(17)26)7-9-5-10(18(22)23)14(20)11(6-9)24-2/h5-7,20H,3-4,8H2,1-2H3/p-1/b12-7-