tert-butyl 3-ethylsulfanyl-2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1-pent-2-ynyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: tert-butyl 3-ethylsulfanyl-2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1-pent-2-ynyl-cyclopent-3-ene-1-carboxylate Openeye Name: tert-butyl 3-ethylsulfanyl-2-(2-methoxy-2-oxo-ethyl)-5-oxo-1-pent-2-ynyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-(ethylthio)-2-(2-methoxy-2-oxoethyl)-5-oxo-1-pent-2-ynyl-1-cyclopent-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethylsulfanyl-2-(2-methoxy-2-oxoethyl)-5-oxo-1-pent-2-ynylcyclopent-3-ene-1-carboxylate Traditional Name: 3-(ethylthio)-5-keto-2-(2-keto-2-methoxy-ethyl)-1-pent-2-ynyl-cyclopent-3-ene-1-carboxylic acid tert-butyl ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1(C(C(=CC1=O)SCC)CC(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC#CCC1(C(C(=CC1=O)SCC)CC(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28O5S/c1-7-9-10-11-20(18(23)25-19(3,4)5)14(12-17(22)24-6)15(26-8-2)13-16(20)21/h13-14H,7-8,11-12H2,1-6H3