methyl 4-(2,5-diethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(2,5-diethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2,5-diethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-diethyl-3-thiophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2,5-diethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-diethyl-3-thienyl)-4-keto-butyric acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)CC)C(=O)CCC(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)CC)C(=O)CCC(=O)OC

InChI

InChI=1S/C13H18O3S/c1-4-9-8-10(12(5-2)17-9)11(14)6-7-13(15)16-3/h8H,4-7H2,1-3H3