(5-ethanoyl-2-methoxy-phenyl)methyl (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C20H22O4S/c1-12-4-7-18-15(8-12)10-19(25-18)20(22)24-11-16-9-14(13(2)21)5-6-17(16)23-3/h5-6,9-10,12H,4,7-8,11H2,1-3H3/t12-/m1/s1