methyl 2-[2-(2,4,6-trimethylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2,4,6-trimethylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-mesitylacetyl)amino]benzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC)C

InChI

InChI=1S/C21H21NO3S/c1-12-9-13(2)16(14(3)10-12)11-18(23)22-20-19(21(24)25-4)15-7-5-6-8-17(15)26-20/h5-10H,11H2,1-4H3,(H,22,23)