6-chloranyl-2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]sulfanyl-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]thio]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]thio]-6-chloro-1H-quinazolin-4-one Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)SC1=NC(=O)C2=C(N1)C=CC(=C2)Cl)O

Isomeric SMILES

CCO/C(=C(\C(=O)C)/SC1=NC(=O)C2=C(N1)C=CC(=C2)Cl)/O

InChI

InChI=1S/C14H13ClN2O4S/c1-3-21-13(20)11(7(2)18)22-14-16-10-5-4-8(15)6-9(10)12(19)17-14/h4-6,20H,3H2,1-2H3,(H,16,17,19)/b13-11+