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

Systemtic Name: 3-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H16N2O6S/c1-27-16-9-11(8-14-17(23)21-20(29)22-18(14)24)5-6-15(16)28-10-12-3-2-4-13(7-12)19(25)26/h2-9H,10H2,1H3,(H,25,26)(H2,21,22,23,24,29)