butanoic acid; S-ethyl azepane-1-carbothioate

Systemtic Name: butanoic acid; S-ethyl azepane-1-carbothioate Openeye Name: butyric acid; S-ethyl azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-ethyl ester; butanoic acid IUPAC Name: butanoic acid; S-ethyl azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-ethyl ester; butyric acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CCSC(=O)N1CCCCCC1

Isomeric SMILES

CCCC(=O)O.CCSC(=O)N1CCCCCC1

InChI

InChI=1S/C9H17NOS.C4H8O2/c1-2-12-9(11)10-7-5-3-4-6-8-10;1-2-3-4(5)6/h2-8H2,1H3;2-3H2,1H3,(H,5,6)