3-[5-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(4-benzoxy-3-chloro-5-methoxy-benzylidene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C26H19ClN2O6S MolecularWeight: 522.95686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19ClN2O6S/c1-34-21-12-16(11-20(27)22(21)35-14-15-6-3-2-4-7-15)10-19-23(30)28-26(36)29(24(19)31)18-9-5-8-17(13-18)25(32)33/h2-13H,14H2,1H3,(H,32,33)(H,28,30,36)