S-ethyl 3-oxidanyl-4-phenylmethoxy-butanethioate

Systemtic Name: S-ethyl 3-oxidanyl-4-phenylmethoxy-butanethioate Openeye Name: S-ethyl 4-benzyloxy-3-hydroxy-butanethioate CAS Name: 3-hydroxy-4-phenylmethoxybutanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3-hydroxy-4-phenylmethoxybutanethioate Traditional Name: 4-benzoxy-3-hydroxy-butanethioic acid S-ethyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(COCC1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)CC(COCC1=CC=CC=C1)O

InChI

InChI=1S/C13H18O3S/c1-2-17-13(15)8-12(14)10-16-9-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3