S-ethyl 4-oxidanylazepane-1-carbothioate

Systemtic Name: S-ethyl 4-oxidanylazepane-1-carbothioate Openeye Name: S-ethyl 4-hydroxyazepane-1-carbothioate CAS Name: 4-hydroxy-1-azepanecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-hydroxyazepane-1-carbothioate Traditional Name: 4-hydroxyazepane-1-carbothioic acid S-ethyl ester Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1CCCC(CC1)O

Isomeric SMILES

CCSC(=O)N1CCCC(CC1)O

InChI

InChI=1S/C9H17NO2S/c1-2-13-9(12)10-6-3-4-8(11)5-7-10/h8,11H,2-7H2,1H3