[2-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C18H14N2O6S3 MolecularWeight: 450.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

InChI

InChI=1S/C18H14N2O6S3/c1-2-19-17(21)15(28-18(19)27)11-12-7-3-5-9-14(12)26-29(24,25)16-10-6-4-8-13(16)20(22)23/h3-11H,2H2,1H3