[4-[(E)-(4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-(4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-(4-oxo-2-pyrrolidin-1-yl-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-[4-oxo-2-(1-pyrrolidinyl)-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-(4-keto-2-pyrrolidino-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=O)C(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S2

Isomeric SMILES

C1CCN(C1)C2=NC(=O)/C(=C\C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)/S2

InChI

InChI=1S/C20H18N2O4S2/c23-19-18(27-20(21-19)22-12-4-5-13-22)14-15-8-10-16(11-9-15)26-28(24,25)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2/b18-14+