methyl 2-[(4-methylsulfanylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-[(4-methylsulfanylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-5-carboxylate Openeye Name: methyl 2-[(4-methylsulfanylphenyl)methylene]-3-oxo-benzofuran-5-carboxylate CAS Name: 2-[[4-(methylthio)phenyl]methylidene]-3-oxo-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate Traditional Name: 3-keto-2-[4-(methylthio)benzylidene]coumaran-5-carboxylic acid methyl ester Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)SC)C2=O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)SC)C2=O

InChI

InChI=1S/C18H14O4S/c1-21-18(20)12-5-8-15-14(10-12)17(19)16(22-15)9-11-3-6-13(23-2)7-4-11/h3-10H,1-2H3