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

Systemtic Name: methyl (1S,5R)-3-(4-thiophen-2-ylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-[4-(2-thienyl)phenyl]-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(4-thiophen-2-ylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(4-thiophen-2-ylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-[4-(2-thienyl)phenyl]-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1O2)C3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1O2)C3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C19H18O3S/c1-21-19(20)18-15(11-14-8-9-16(18)22-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14,16H,8-9,11H2,1H3/t14-,16+/m0/s1