[1-ethoxycarbothioylsulfanyl-4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2,2-dimethylpropanoate

Systemtic Name: [1-ethoxycarbothioylsulfanyl-4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2,2-dimethylpropanoate Openeye Name: [1-ethoxycarbothioylsulfanyl-4-(4-fluorophenyl)-4-oxo-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[[ethoxy(sulfanylidene)methyl]thio]-4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [1-ethoxycarbothioylsulfanyl-4-(4-fluorophenyl)-4-oxobutyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(ethoxycarbothioylthio)-4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H23FO4S2 MolecularWeight: 386.501223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1=CC=C(C=C1)F)OC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C1=CC=C(C=C1)F)OC(=O)C(C)(C)C

InChI

InChI=1S/C18H23FO4S2/c1-5-22-17(24)25-15(23-16(21)18(2,3)4)11-10-14(20)12-6-8-13(19)9-7-12/h6-9,15H,5,10-11H2,1-4H3