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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O

InChI

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