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

Systemtic Name: methyl 4-(2,5-diethylthiophen-3-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(2,5-diethyl-3-thienyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(2,5-diethyl-3-thiophenyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2,5-diethylthiophen-3-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(2,5-diethyl-3-thienyl)thio]-3-keto-butyric acid methyl ester Formula: C13H18O3S2 MolecularWeight: 286.41022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S2/c1-4-10-7-12(11(5-2)18-10)17-8-9(14)6-13(15)16-3/h7H,4-6,8H2,1-3H3