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

Systemtic Name: 3-[4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]propane-1-sulfonate CAS Name: 3-[4-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1-pyridinyl]-1-propanesulfonate IUPAC Name: 3-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]propane-1-sulfonate Formula: C13H15N2O4S3- MolecularWeight: 359.4642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2C=CN(C=C2)CCCS(=O)(=O)[O-])SC1=S

Isomeric SMILES

CCN1C(=O)C(=C2C=CN(C=C2)CCCS(=O)(=O)[O-])SC1=S

InChI

InChI=1S/C13H16N2O4S3/c1-2-15-12(16)11(21-13(15)20)10-4-7-14(8-5-10)6-3-9-22(17,18)19/h4-5,7-8H,2-3,6,9H2,1H3,(H,17,18,19)/p-1