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

Systemtic Name: 3-[5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C22H17IN2O6S MolecularWeight: 564.34965

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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)I)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)I)OCC=C

InChI

InChI=1S/C22H17IN2O6S/c1-3-7-31-18-16(23)9-12(10-17(18)30-2)8-15-19(26)24-22(32)25(20(15)27)14-6-4-5-13(11-14)21(28)29/h3-6,8-11H,1,7H2,2H3,(H,28,29)(H,24,26,32)