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

Systemtic Name: 2-[4-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid Openeye Name: 2-[4-[(Z)-[1-(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propanoic acid CAS Name: 2-[4-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid IUPAC Name: 2-[4-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoic acid Traditional Name: 2-[4-[(Z)-[4,6-diketo-1-(o-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propionic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(C=C3)OC(C)C(=O)O)/C(=O)NC2=S

InChI

InChI=1S/C21H18N2O5S/c1-12-5-3-4-6-17(12)23-19(25)16(18(24)22-21(23)29)11-14-7-9-15(10-8-14)28-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,29)/b16-11-