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

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2-methoxy-4-[(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-4-[(4-oxo-3-propyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C20H19NO5S3 MolecularWeight: 449.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)SC1=S

Isomeric SMILES

CCCN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)SC1=S

InChI

InChI=1S/C20H19NO5S3/c1-3-11-21-19(22)18(28-20(21)27)13-14-9-10-16(17(12-14)25-2)26-29(23,24)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3