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

Systemtic Name: 2-ethoxy-4-nitro-6-[(Z)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Openeye Name: 2-ethoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenolate CAS Name: 2-ethoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenolate IUPAC Name: 2-ethoxy-4-nitro-6-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Traditional Name: 2-ethoxy-6-[(Z)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]-4-nitro-phenolate Formula: C20H17N2O5S2- MolecularWeight: 429.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=S)S2)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H18N2O5S2/c1-2-27-16-12-15(22(25)26)10-14(18(16)23)11-17-19(24)21(20(28)29-17)9-8-13-6-4-3-5-7-13/h3-7,10-12,23H,2,8-9H2,1H3/p-1/b17-11-