S-ethyl (1S,3aS,6aR)-2-ethanoyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioate

Systemtic Name: S-ethyl (1S,3aS,6aR)-2-ethanoyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioate Openeye Name: S-ethyl (1S,3aS,6aR)-2-acetyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioate CAS Name: (1S,3aS,6aR)-2-acetyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl (1S,3aS,6aR)-2-acetyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioate Traditional Name: (1S,3aS,6aR)-2-acetyl-1,3a,4,5,6,6a-hexahydropentalene-1-carbothioic acid S-ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1C2CCCC2C=C1C(=O)C

Isomeric SMILES

CCSC(=O)[C@H]1[C@@H]2CCC[C@@H]2C=C1C(=O)C

InChI

InChI=1S/C13H18O2S/c1-3-16-13(15)12-10-6-4-5-9(10)7-11(12)8(2)14/h7,9-10,12H,3-6H2,1-2H3/t9-,10-,12+/m1/s1