5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-ethoxy-4-hydroxy-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-3-27-15-7-5-6-14(12-15)23-20(26)16(19(25)22-21(23)29)10-13-8-9-17(24)18(11-13)28-4-2/h5-12,24H,3-4H2,1-2H3,(H,22,25,29)