tert-butyl 2-[4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-[4-chloranyl-3-(ethylsulfanylmethyl)-2-methylsulfanyl-phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-[4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanyl-benzoyl]-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[[4-chloro-3-[(ethylthio)methyl]-2-(methylthio)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-chloro-3-(ethylsulfanylmethyl)-2-methylsulfanylbenzoyl]-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-[4-chloro-3-[(ethylthio)methyl]-2-(methylthio)benzoyl]-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C21H27ClO4S2 MolecularWeight: 443.01968

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CC(=C1SC)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCSCC1=C(C=CC(=C1SC)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H27ClO4S2/c1-6-28-11-14-15(22)10-9-13(19(14)27-5)18(24)16(17(23)12-7-8-12)20(25)26-21(2,3)4/h9-10,12,16H,6-8,11H2,1-5H3