(5E)-1-(3-ethoxyphenyl)-5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(3-ethoxyphenyl)-5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3-ethoxyphenyl)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3-ethoxyphenyl)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21IN2O5S MolecularWeight: 564.39271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC=C)OC)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC=C)OC)/C(=O)NC2=S

InChI

InChI=1S/C23H21IN2O5S/c1-4-9-31-20-18(24)11-14(12-19(20)29-3)10-17-21(27)25-23(32)26(22(17)28)15-7-6-8-16(13-15)30-5-2/h4,6-8,10-13H,1,5,9H2,2-3H3,(H,25,27,32)/b17-10+