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

Systemtic Name: 5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-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]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-ethoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC#C

InChI

InChI=1S/C19H18N2O4S/c1-4-9-21-18(23)14(17(22)20-19(21)26)11-13-7-8-15(25-10-5-2)16(12-13)24-6-3/h2,4,7-8,11-12H,1,6,9-10H2,3H3,(H,20,22,26)