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

Systemtic Name: [(3R,3aR,7aR)-3a-methyl-1-oxidanylidene-3,6,7,7a-tetrahydro-2H-1-benzothiophen-3-yl] benzoate Openeye Name: [(3R,3aR,7aR)-3a-methyl-1-oxo-3,6,7,7a-tetrahydro-2H-benzothiophen-3-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [(3R,3aR,7aR)-1-keto-3a-methyl-3,6,7,7a-tetrahydro-2H-benzothiophen-3-yl] ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=CCCC1S(=O)CC2OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@]12C=CCC[C@H]1S(=O)C[C@@H]2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18O3S/c1-16-10-6-5-9-14(16)20(18)11-13(16)19-15(17)12-7-3-2-4-8-12/h2-4,6-8,10,13-14H,5,9,11H2,1H3/t13-,14+,16+,20?/m0/s1