methyl 4-oxidanylidene-4-[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]butanoate Openeye Name: methyl 4-[2-hydroxy-4-(3-thienylmethoxy)phenyl]-4-oxo-butanoate CAS Name: 4-[2-hydroxy-4-(3-thiophenylmethoxy)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-4-(thiophen-3-ylmethoxy)phenyl]-4-oxobutanoate Traditional Name: 4-[2-hydroxy-4-(3-thenyloxy)phenyl]-4-keto-butyric acid methyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)O

Isomeric SMILES

COC(=O)CCC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)O

InChI

InChI=1S/C16H16O5S/c1-20-16(19)5-4-14(17)13-3-2-12(8-15(13)18)21-9-11-6-7-22-10-11/h2-3,6-8,10,18H,4-5,9H2,1H3