methyl (2E)-4-chloranyl-2-[methoxy(oxidanyl)methylidene]-3-oxidanylidene-1-benzothiophene-5-carboxylate

Systemtic Name: methyl (2E)-4-chloranyl-2-[methoxy(oxidanyl)methylidene]-3-oxidanylidene-1-benzothiophene-5-carboxylate Openeye Name: methyl (2E)-4-chloro-2-[hydroxy(methoxy)methylene]-3-oxo-benzothiophene-5-carboxylate CAS Name: (2E)-4-chloro-2-[hydroxy(methoxy)methylidene]-3-oxo-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl (2E)-4-chloro-2-[hydroxy(methoxy)methylidene]-3-oxo-1-benzothiophene-5-carboxylate Traditional Name: (2E)-4-chloro-2-[hydroxy(methoxy)methylene]-3-keto-benzothiophene-5-carboxylic acid methyl ester Formula: C12H9ClO5S MolecularWeight: 300.71486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C1)SC(=C(O)OC)C2=O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C1)S/C(=C(\O)/OC)/C2=O)Cl

InChI

InChI=1S/C12H9ClO5S/c1-17-11(15)5-3-4-6-7(8(5)13)9(14)10(19-6)12(16)18-2/h3-4,16H,1-2H3/b12-10+