methyl 2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-(4-morpholinyl)propylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-27-21(26)19-17(16-6-3-2-4-7-16)15-29-20(19)23-18(25)14-22-8-5-9-24-10-12-28-13-11-24/h2-4,6-7,15,22H,5,8-14H2,1H3,(H,23,25)