2-[(E)-(1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(1-ethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid CAS Name: 2-[(E)-(1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]benzoic acid IUPAC Name: 2-[(E)-(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(1-ethyl-5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=CC=C2C(=O)O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CC=CC=C2C(=O)O)/NC1=S

InChI

InChI=1S/C13H12N2O3S/c1-2-15-11(16)10(14-13(15)19)7-8-5-3-4-6-9(8)12(17)18/h3-7H,2H2,1H3,(H,14,19)(H,17,18)/b10-7+