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

Systemtic Name: 2-methoxy-4-nitro-6-[(Z)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Traditional Name: 2-[(Z)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C19H15N2O5S2- MolecularWeight: 415.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H16N2O5S2/c1-26-15-11-14(21(24)25)9-13(17(15)22)10-16-18(23)20(19(27)28-16)8-7-12-5-3-2-4-6-12/h2-6,9-11,22H,7-8H2,1H3/p-1/b16-10-