2-methylsulfanylethyl 2-oxidanylidene-1-phenacyl-cyclopentane-1-carboxylate

Systemtic Name: 2-methylsulfanylethyl 2-oxidanylidene-1-phenacyl-cyclopentane-1-carboxylate Openeye Name: 2-methylsulfanylethyl 2-oxo-1-phenacyl-cyclopentanecarboxylate CAS Name: 2-oxo-1-phenacyl-1-cyclopentanecarboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 2-oxo-1-phenacylcyclopentane-1-carboxylate Traditional Name: 2-keto-1-phenacyl-cyclopentanecarboxylic acid 2-(methylthio)ethyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1(CCCC1=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCOC(=O)C1(CCCC1=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O4S/c1-22-11-10-21-16(20)17(9-5-8-15(17)19)12-14(18)13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3