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

Systemtic Name: [2-ethoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C21H19NO5S3 MolecularWeight: 461.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S3/c1-3-12-22-20(23)19(29-21(22)28)14-15-10-11-17(18(13-15)26-4-2)27-30(24,25)16-8-6-5-7-9-16/h3,5-11,13-14H,1,4,12H2,2H3