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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 5-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H18N2O5S/c28-22-20(23(29)27(25(33)26-22)18-9-5-2-6-10-18)14-17-11-12-21(19(13-17)24(30)31)32-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,30,31)(H,26,28,33)