[(3R,3aR,7aR)-3a-methyl-1-oxidanylidene-3,6,7,7a-tetrahydro-2H-1-benzothiophen-3-yl] ethanoate

Systemtic Name: [(3R,3aR,7aR)-3a-methyl-1-oxidanylidene-3,6,7,7a-tetrahydro-2H-1-benzothiophen-3-yl] ethanoate Openeye Name: [(3R,3aR,7aR)-3a-methyl-1-oxo-3,6,7,7a-tetrahydro-2H-benzothiophen-3-yl] acetate CAS Name: acetic acid [(3R,3aR,7aR)-3a-methyl-1-oxo-3,6,7,7a-tetrahydro-2H-1-benzothiophen-3-yl] ester IUPAC Name: [(3R,3aR,7aR)-3a-methyl-1-oxo-3,6,7,7a-tetrahydro-2H-1-benzothiophen-3-yl] acetate Traditional Name: acetic acid [(3R,3aR,7aR)-1-keto-3a-methyl-3,6,7,7a-tetrahydro-2H-benzothiophen-3-yl] ester Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CS(=O)C2C1(C=CCC2)C

Isomeric SMILES

CC(=O)O[C@H]1CS(=O)[C@H]2[C@@]1(C=CCC2)C

InChI

InChI=1S/C11H16O3S/c1-8(12)14-9-7-15(13)10-5-3-4-6-11(9,10)2/h4,6,9-10H,3,5,7H2,1-2H3/t9-,10+,11+,15?/m0/s1