methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(1-benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(benzothiophen-2-yl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1O2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1O2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C17H16O3S/c1-19-17(18)16-12(9-11-6-7-13(16)20-11)15-8-10-4-2-3-5-14(10)21-15/h2-5,8,11,13H,6-7,9H2,1H3/t11-,13+/m0/s1