1-(2-chloranyl-5-sulfanyl-phenyl)-3-ethoxy-2-methyl-3-oxidanyl-prop-2-en-1-one

Systemtic Name: 1-(2-chloranyl-5-sulfanyl-phenyl)-3-ethoxy-2-methyl-3-oxidanyl-prop-2-en-1-one Openeye Name: 1-(2-chloro-5-sulfanyl-phenyl)-3-ethoxy-3-hydroxy-2-methyl-prop-2-en-1-one CAS Name: 1-(2-chloro-5-mercaptophenyl)-3-ethoxy-3-hydroxy-2-methyl-2-propen-1-one IUPAC Name: 1-(2-chloro-5-sulfanylphenyl)-3-ethoxy-3-hydroxy-2-methylprop-2-en-1-one Traditional Name: 1-(2-chloro-5-mercapto-phenyl)-3-ethoxy-3-hydroxy-2-methyl-prop-2-en-1-one Formula: C12H13ClO3S MolecularWeight: 272.74782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C)C(=O)C1=C(C=CC(=C1)S)Cl)O

Isomeric SMILES

CCOC(=C(C)C(=O)C1=C(C=CC(=C1)S)Cl)O

InChI

InChI=1S/C12H13ClO3S/c1-3-16-12(15)7(2)11(14)9-6-8(17)4-5-10(9)13/h4-6,15,17H,3H2,1-2H3