3-[2-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonate Openeye Name: 3-[2-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonate CAS Name: 3-[2-(4-oxo-3-phenyl-2-sulfanylidene-5-thiazolidinylidene)-1-quinolinyl]-1-propanesulfonate IUPAC Name: 3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonate Traditional Name: 3-[2-(4-keto-3-phenyl-2-thioxo-thiazolidin-5-ylidene)-1-quinolyl]propane-1-sulfonate Formula: C21H17N2O4S3- MolecularWeight: 457.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-])SC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-])SC2=S

InChI

InChI=1S/C21H18N2O4S3/c24-20-19(29-21(28)23(20)16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)22(18)13-6-14-30(25,26)27/h1-5,7-12H,6,13-14H2,(H,25,26,27)/p-1