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

Systemtic Name: 3-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]quinolin-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-quinolyl]propane-1-sulfonate CAS Name: 3-[2-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]-1-quinolinyl]-1-propanesulfonate IUPAC Name: 3-[2-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]quinolin-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[4-keto-3-(4-methoxyphenyl)-2-thioxo-thiazolidin-5-ylidene]-1-quinolyl]propane-1-sulfonate Formula: C22H19N2O5S3- MolecularWeight: 487.59166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-])SC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C3C=CC4=CC=CC=C4N3CCCS(=O)(=O)[O-])SC2=S

InChI

InChI=1S/C22H20N2O5S3/c1-29-17-10-8-16(9-11-17)24-21(25)20(31-22(24)30)19-12-7-15-5-2-3-6-18(15)23(19)13-4-14-32(26,27)28/h2-3,5-12H,4,13-14H2,1H3,(H,26,27,28)/p-1