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

Systemtic Name: 3-[5-[[1-(2-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[[1-(2-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[[1-(2-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]-2-methyl-benzoic acid Formula: C23H15ClN2O5S MolecularWeight: 466.8936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H15ClN2O5S/c1-12-14(5-4-6-15(12)22(29)30)19-10-9-13(31-19)11-16-20(27)25-23(32)26(21(16)28)18-8-3-2-7-17(18)24/h2-11H,1H3,(H,29,30)(H,25,27,32)