ethanedioic acid; (5E)-5-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: ethanedioic acid; (5E)-5-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-iodo-4,5-dimethoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione; oxalic acid CAS Name: (5E)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione; oxalic acid IUPAC Name: (5E)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione; oxalic acid Traditional Name: (5E)-1-allyl-5-(3-iodo-4,5-dimethoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone; oxalic acid Formula: C18H17IN2O8S MolecularWeight: 548.30565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)I)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15IN2O4S.C2H2O4/c1-4-5-19-15(21)10(14(20)18-16(19)24)6-9-7-11(17)13(23-3)12(8-9)22-2;3-1(4)2(5)6/h4,6-8H,1,5H2,2-3H3,(H,18,20,24);(H,3,4)(H,5,6)/b10-6+;