2-[4-[(E)-[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate CAS Name: 2-[4-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetate Formula: C14H11N2O5S- MolecularWeight: 319.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)[O-])C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C14H12N2O5S/c1-16-13(20)10(12(19)15-14(16)22)6-8-2-4-9(5-3-8)21-7-11(17)18/h2-6H,7H2,1H3,(H,17,18)(H,15,19,22)/p-1/b10-6+