[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-12(22)21-18-16(14-10-6-7-11-15(14)27-18)19(23)26-17(20(24)25-2)13-8-4-3-5-9-13/h3-5,8-9,17H,6-7,10-11H2,1-2H3,(H,21,22)/t17-/m1/s1