S-(2-phenoxyethyl) 2-oxidanyl-3-oxidanylidene-butanethioate

Systemtic Name: S-(2-phenoxyethyl) 2-oxidanyl-3-oxidanylidene-butanethioate Openeye Name: S-(2-phenoxyethyl) 2-hydroxy-3-oxo-butanethioate CAS Name: 2-hydroxy-3-oxobutanethioic acid S-(2-phenoxyethyl) ester IUPAC Name: S-(2-phenoxyethyl) 2-hydroxy-3-oxobutanethioate Traditional Name: 2-hydroxy-3-keto-butanethioic acid S-(2-phenoxyethyl) ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)SCCOC1=CC=CC=C1)O

Isomeric SMILES

CC(=O)C(C(=O)SCCOC1=CC=CC=C1)O

InChI

InChI=1S/C12H14O4S/c1-9(13)11(14)12(15)17-8-7-16-10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3