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

Systemtic Name: [2-ethoxy-4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C21H21NO5S3 MolecularWeight: 463.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OCC)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OCC)SC1=S

InChI

InChI=1S/C21H21NO5S3/c1-4-22-20(23)19(29-21(22)28)13-15-8-11-17(18(12-15)26-5-2)27-30(24,25)16-9-6-14(3)7-10-16/h6-13H,4-5H2,1-3H3