(4-oxidanylidene-4-phenyl-butyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14(23)22-20-19(16-10-5-6-12-18(16)27-20)21(25)26-13-7-11-17(24)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3,(H,22,23)