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

Systemtic Name: 2-[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]phenoxy]acetate CAS Name: 2-[4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]acetate IUPAC Name: 2-[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]phenoxy]acetate Formula: C16H12N2O5S-2 MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-2-7-18-15(22)12(14(21)17-16(18)24)8-10-3-5-11(6-4-10)23-9-13(19)20/h2-6,8H,1,7,9H2,(H,19,20)(H,17,21,24)/p-2/b12-8+