[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C20H21NO4S/c1-12(19(23)14-7-9-15(10-8-14)21-13(2)22)25-20(24)17-11-26-18-6-4-3-5-16(17)18/h7-12H,3-6H2,1-2H3,(H,21,22)/t12-/m1/s1