methyl 4-oxidanylidene-4-[5-(phenylmethyl)thiophen-2-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[5-(phenylmethyl)thiophen-2-yl]butanoate Openeye Name: methyl 4-(5-benzyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-oxo-4-[5-(phenylmethyl)-2-thiophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-(5-benzylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-benzyl-2-thienyl)-4-keto-butyric acid methyl ester Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(S1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(S1)CC2=CC=CC=C2

InChI

InChI=1S/C16H16O3S/c1-19-16(18)10-8-14(17)15-9-7-13(20-15)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3