ethyl 5-[2-(4-acetamidophenyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-acetamidophenyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-acetamidophenyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(4-acetamidophenyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-acetamidophenyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(4-acetamidophenyl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H20N2O4S/c1-3-27-21(26)19-12-15-11-17(8-9-18(15)28-19)23-20(25)10-14-4-6-16(7-5-14)22-13(2)24/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)(H,23,25)