ethyl (2R,3S)-2-(2-ethylsulfanyl-2-oxidanylidene-ethyl)-3-methanoyl-hept-6-ynoate

Systemtic Name: ethyl (2R,3S)-2-(2-ethylsulfanyl-2-oxidanylidene-ethyl)-3-methanoyl-hept-6-ynoate Openeye Name: ethyl (2R,3S)-2-(2-ethylsulfanyl-2-oxo-ethyl)-3-formyl-hept-6-ynoate CAS Name: (2R,3S)-2-[2-(ethylthio)-2-oxoethyl]-3-formyl-6-heptynoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-(2-ethylsulfanyl-2-oxoethyl)-3-formylhept-6-ynoate Traditional Name: (2R,3S)-2-[2-(ethylthio)-2-keto-ethyl]-3-formyl-hept-6-ynoic acid ethyl ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)SCC)C(CCC#C)C=O

Isomeric SMILES

CCOC(=O)[C@H](CC(=O)SCC)[C@H](CCC#C)C=O

InChI

InChI=1S/C14H20O4S/c1-4-7-8-11(10-15)12(14(17)18-5-2)9-13(16)19-6-3/h1,10-12H,5-9H2,2-3H3/t11-,12-/m1/s1