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

Systemtic Name: (5E)-5-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H17BrN2O4S MolecularWeight: 425.29688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=S)N(C2=O)CC=C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)OC

InChI

InChI=1S/C17H17BrN2O4S/c1-4-6-20-16(22)11(15(21)19-17(20)25)7-10-8-12(18)14(24-5-2)13(9-10)23-3/h4,7-9H,1,5-6H2,2-3H3,(H,19,21,25)/b11-7+