methyl 3-ethoxy-5-[2-(4-methoxyphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-[2-(4-methoxyphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-[[2-(4-methoxyphenyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-[[2-(4-methoxyphenyl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H21NO5S/c1-4-27-19-16-12-14(7-10-17(16)28-20(19)21(24)26-3)22-18(23)11-13-5-8-15(25-2)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,22,23)