methyl 3-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[6-(3,5-dichloro-4-pyridyl)hexylsulfanyl]-3-oxo-propanoate CAS Name: 3-[6-(3,5-dichloro-4-pyridinyl)hexylthio]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[6-(3,5-dichloropyridin-4-yl)hexylsulfanyl]-3-oxopropanoate Traditional Name: 3-[6-(3,5-dichloro-4-pyridyl)hexylthio]-3-keto-propionic acid methyl ester Formula: C15H19Cl2NO3S MolecularWeight: 364.28726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)SCCCCCCC1=C(C=NC=C1Cl)Cl

Isomeric SMILES

COC(=O)CC(=O)SCCCCCCC1=C(C=NC=C1Cl)Cl

InChI

InChI=1S/C15H19Cl2NO3S/c1-21-14(19)8-15(20)22-7-5-3-2-4-6-11-12(16)9-18-10-13(11)17/h9-10H,2-8H2,1H3