methyl 3-ethoxy-5-[2-(2-methylphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-[2-(2-methylphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-[[2-(o-tolyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[[2-(2-methylphenyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-[[2-(2-methylphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-[[2-(o-tolyl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC=CC=C3C)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC=CC=C3C)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-4-26-19-16-12-15(9-10-17(16)27-20(19)21(24)25-3)22-18(23)11-14-8-6-5-7-13(14)2/h5-10,12H,4,11H2,1-3H3,(H,22,23)