methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-5-methyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate

Systemtic Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentyl)sulfanyl-5-methyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate Openeye Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxo-pentyl)sulfanyl-5-methyl-pyridazin-3-yl]sulfanyl-2,2-dimethyl-pentanoate CAS Name: 5-[[6-[(5-methoxy-4,4-dimethyl-5-oxopentyl)thio]-5-methyl-3-pyridazinyl]thio]-2,2-dimethylpentanoic acid methyl ester IUPAC Name: methyl 5-[6-(5-methoxy-4,4-dimethyl-5-oxopentyl)sulfanyl-5-methylpyridazin-3-yl]sulfanyl-2,2-dimethylpentanoate Traditional Name: 5-[[6-[(5-keto-5-methoxy-4,4-dimethyl-pentyl)thio]-5-methyl-pyridazin-3-yl]thio]-2,2-dimethyl-valeric acid methyl ester Formula: C21H34N2O4S2 MolecularWeight: 442.63566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN=C1SCCCC(C)(C)C(=O)OC)SCCCC(C)(C)C(=O)OC

Isomeric SMILES

CC1=CC(=NN=C1SCCCC(C)(C)C(=O)OC)SCCCC(C)(C)C(=O)OC

InChI

InChI=1S/C21H34N2O4S2/c1-15-14-16(28-12-8-10-20(2,3)18(24)26-6)22-23-17(15)29-13-9-11-21(4,5)19(25)27-7/h14H,8-13H2,1-7H3