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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-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-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4S/c1-13(24)23-20-19(16-5-2-3-7-18(16)28-20)21(26)27-12-4-6-17(25)14-8-10-15(22)11-9-14/h8-11H,2-7,12H2,1H3,(H,23,24)