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

Systemtic Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(3-methoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)OCC#C

InChI

InChI=1S/C18H16N2O4S/c1-4-8-20-17(22)13(16(21)19-18(20)25)10-12-6-7-14(24-9-5-2)15(11-12)23-3/h2,4,6-7,10-11H,1,8-9H2,3H3,(H,19,21,25)/b13-10+