3-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-4-oxo-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-4-oxo-5-(2-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-4-oxo-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-4-keto-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]propionate Formula: C12H10N2O3S2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)[O-]

InChI

InChI=1S/C12H10N2O3S2/c15-10(16)4-6-14-11(17)9(19-12(14)18)7-8-3-1-2-5-13-8/h1-3,5,7H,4,6H2,(H,15,16)/b9-7-