3-[(2E)-2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-(3-cyclohexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-(3-cyclohexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzoxazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-(3-cyclohexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzoxazol-3-yl]propane-1-sulfonic acid Formula: C19H22N2O5S3 MolecularWeight: 454.58338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C3N(C4=CC=CC=C4O3)CCCS(=O)(=O)O)SC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C\3/N(C4=CC=CC=C4O3)CCCS(=O)(=O)O)/SC2=S

InChI

InChI=1S/C19H22N2O5S3/c22-17-16(28-19(27)21(17)13-7-2-1-3-8-13)18-20(11-6-12-29(23,24)25)14-9-4-5-10-15(14)26-18/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,23,24,25)/b18-16+