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

Systemtic Name: ethyl 5-[2-(2-phenylethanoylamino)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(2-phenylacetyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(2-phenylacetyl)amino]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)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-2-27-21(26)18-12-15-11-16(8-9-17(15)28-18)23-20(25)13-22-19(24)10-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H,22,24)(H,23,25)