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

Systemtic Name: [4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C19H16N2O7S3 MolecularWeight: 480.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)SC1=S

InChI

InChI=1S/C19H16N2O7S3/c1-3-20-18(22)16(30-19(20)29)11-12-8-9-14(15(10-12)27-2)28-31(25,26)17-7-5-4-6-13(17)21(23)24/h4-11H,3H2,1-2H3