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

Systemtic Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(3-methoxy-4-propargyloxy-benzylidene)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)OC)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC#C)OC)/C(=O)NC1=S

InChI

InChI=1S/C16H14N2O4S/c1-4-7-22-12-6-5-10(9-13(12)21-3)8-11-14(19)17-16(23)18(2)15(11)20/h1,5-6,8-9H,7H2,2-3H3,(H,17,19,23)/b11-8+