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

Systemtic Name: 3-methyl-2-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 3-methyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 3-methyl-2-[(5Z)-4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 3-methyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 2-[(5Z)-4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-methyl-butyrate Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C(=CC2=CC=[NH+]C=C2)SC1=S

Isomeric SMILES

CC(C)C(C(=O)[O-])N1C(=O)/C(=C/C2=CC=[NH+]C=C2)/SC1=S

InChI

InChI=1S/C14H14N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)7-9-3-5-15-6-4-9/h3-8,11H,1-2H3,(H,18,19)/b10-7-