2-[2-chloranyl-6-ethoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-chloranyl-6-ethoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy]acetate CAS Name: 2-[2-chloro-6-ethoxy-4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]acetate IUPAC Name: 2-[2-chloro-6-ethoxy-4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy]acetate Formula: C18H15ClN2O6S-2 MolecularWeight: 422.8395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NC(=S)N(C2=O)CC=C)[O-])Cl)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NC(=S)N(C2=O)CC=C)[O-])Cl)OCC(=O)[O-]

InChI

InChI=1S/C18H17ClN2O6S/c1-3-5-21-17(25)11(16(24)20-18(21)28)6-10-7-12(19)15(27-9-14(22)23)13(8-10)26-4-2/h3,6-8H,1,4-5,9H2,2H3,(H,22,23)(H,20,24,28)/p-2/b11-6+