ethyl 5-[3-(2-phenylethanoylamino)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(2-phenylethanoylamino)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[3-[(2-phenylacetyl)amino]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(2-phenylacetyl)amino]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[(2-phenylacetyl)amino]propanoylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-2-28-22(27)19-14-16-13-17(8-9-18(16)29-19)24-20(25)10-11-23-21(26)12-15-6-4-3-5-7-15/h3-9,13-14H,2,10-12H2,1H3,(H,23,26)(H,24,25)