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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC#C

InChI

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