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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoate Openeye Name: 2-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetate CAS Name: 2-[(5Z)-4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetate IUPAC Name: 2-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetate Traditional Name: 2-[(5Z)-4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetate Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])N2C(=O)C(=CC3=CC=[NH+]C=C3)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)[O-])N2C(=O)/C(=C/C3=CC=[NH+]C=C3)/SC2=S

InChI

InChI=1S/C17H12N2O3S2/c20-15-13(10-11-6-8-18-9-7-11)24-17(23)19(15)14(16(21)22)12-4-2-1-3-5-12/h1-10,14H,(H,21,22)/b13-10-