ethyl (4R)-3-methylsulfanyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl (4R)-3-methylsulfanyl-4-oxidanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl (4R)-4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate CAS Name: (4R)-4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate Traditional Name: (4R)-4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C12H16O3S2 MolecularWeight: 272.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(C2=C(S1)SC)O

Isomeric SMILES

CCOC(=O)C1=C2CCC[C@H](C2=C(S1)SC)O

InChI

InChI=1S/C12H16O3S2/c1-3-15-11(14)10-7-5-4-6-8(13)9(7)12(16-2)17-10/h8,13H,3-6H2,1-2H3/t8-/m1/s1