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

Systemtic Name: [2-ethoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-ethoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C18H14N2O7S3 MolecularWeight: 466.50796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7S3/c1-2-26-14-9-11(10-15-17(21)19-18(28)29-15)7-8-13(14)27-30(24,25)16-6-4-3-5-12(16)20(22)23/h3-10H,2H2,1H3,(H,19,21,28)