1-(2-chloranyl-5-sulfanyl-phenyl)-2-[ethoxy(oxidanyl)methylidene]butan-1-one

Systemtic Name: 1-(2-chloranyl-5-sulfanyl-phenyl)-2-[ethoxy(oxidanyl)methylidene]butan-1-one Openeye Name: 1-(2-chloro-5-sulfanyl-phenyl)-2-[ethoxy(hydroxy)methylene]butan-1-one CAS Name: 1-(2-chloro-5-mercaptophenyl)-2-[ethoxy(hydroxy)methylidene]-1-butanone IUPAC Name: 1-(2-chloro-5-sulfanylphenyl)-2-[ethoxy(hydroxy)methylidene]butan-1-one Traditional Name: 1-(2-chloro-5-mercapto-phenyl)-3-ethoxy-2-ethyl-3-hydroxy-prop-2-en-1-one Formula: C13H15ClO3S MolecularWeight: 286.7744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(O)OCC)C(=O)C1=C(C=CC(=C1)S)Cl

Isomeric SMILES

CCC(=C(O)OCC)C(=O)C1=C(C=CC(=C1)S)Cl

InChI

InChI=1S/C13H15ClO3S/c1-3-9(13(16)17-4-2)12(15)10-7-8(18)5-6-11(10)14/h5-7,16,18H,3-4H2,1-2H3