3-[5-[(E)-[1-(3-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-[1-(3-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoic acid CAS Name: 3-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]-4-methylbenzoic acid IUPAC Name: 3-[5-[(E)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-[(E)-[1-(3-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoic acid Formula: C23H15FN2O5S MolecularWeight: 450.439003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H15FN2O5S/c1-12-5-6-13(22(29)30)9-17(12)19-8-7-16(31-19)11-18-20(27)25-23(32)26(21(18)28)15-4-2-3-14(24)10-15/h2-11H,1H3,(H,29,30)(H,25,27,32)/b18-11+