[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H21NO3S/c1-13(2)15-8-4-6-10-17(15)22-19(23)12-25-21(24)20-14(3)16-9-5-7-11-18(16)26-20/h4-11,13H,12H2,1-3H3,(H,22,23)