methyl (E)-2-oxidanyl-4-oxidanylidene-4-thiophen-2-yl-but-2-enoate

Systemtic Name: methyl (E)-2-oxidanyl-4-oxidanylidene-4-thiophen-2-yl-but-2-enoate Openeye Name: methyl (E)-2-hydroxy-4-oxo-4-(2-thienyl)but-2-enoate CAS Name: (E)-2-hydroxy-4-oxo-4-thiophen-2-yl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-hydroxy-4-oxo-4-thiophen-2-ylbut-2-enoate Traditional Name: (E)-2-hydroxy-4-keto-4-(2-thienyl)but-2-enoic acid methyl ester Formula: C9H8O4S MolecularWeight: 212.22242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)C1=CC=CS1)O

Isomeric SMILES

COC(=O)/C(=C\C(=O)C1=CC=CS1)/O

InChI

InChI=1S/C9H8O4S/c1-13-9(12)7(11)5-6(10)8-3-2-4-14-8/h2-5,11H,1H3/b7-5+