[(2E)-2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzoxazol-3-yl] propane-1-sulfonate

Systemtic Name: [(2E)-2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzoxazol-3-yl] propane-1-sulfonate Openeye Name: [(2E)-2-(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(2E)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(2E)-2-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl] ester Formula: C20H18N2O5S3 MolecularWeight: 462.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=CC=CC=C2OC1=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)ON\1C2=CC=CC=C2O/C1=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O5S3/c1-2-12-30(24,25)27-22-15-10-6-7-11-16(15)26-19(22)17-18(23)21(20(28)29-17)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3/b19-17+