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

Systemtic Name: ethyl 4-[4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: ethyl 4-[4-oxo-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[4-oxo-5-(3-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[4-keto-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]benzoic acid ethyl ester Formula: C18H15N2O3S2+ MolecularWeight: 371.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3S2/c1-2-23-17(22)13-5-7-14(8-6-13)20-16(21)15(25-18(20)24)10-12-4-3-9-19-11-12/h3-11H,2H2,1H3/p+1