[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C20H23NO3S/c1-13(2)14-7-3-5-9-17(14)21-19(22)11-24-20(23)16-12-25-18-10-6-4-8-15(16)18/h3,5,7,9,12-13H,4,6,8,10-11H2,1-2H3,(H,21,22)