ethyl 4-(1-methyl-2-oxidanylidene-cyclopentyl)-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 4-(1-methyl-2-oxidanylidene-cyclopentyl)-4-phenylsulfanyl-butanoate Openeye Name: ethyl 4-(1-methyl-2-oxo-cyclopentyl)-4-phenylsulfanyl-butanoate CAS Name: 4-(1-methyl-2-oxocyclopentyl)-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-methyl-2-oxocyclopentyl)-4-phenylsulfanylbutanoate Traditional Name: 4-(2-keto-1-methyl-cyclopentyl)-4-(phenylthio)butyric acid ethyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1(CCCC1=O)C)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(C1(CCCC1=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C18H24O3S/c1-3-21-17(20)12-11-16(18(2)13-7-10-15(18)19)22-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3