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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C23H27NO4S/c1-3-4-7-16-10-12-17(13-11-16)19(26)14-28-23(27)21-18-8-5-6-9-20(18)29-22(21)24-15(2)25/h10-13H,3-9,14H2,1-2H3,(H,24,25)