methyl 5-bromanyl-2-[2-(2,6-dimethylmorpholin-4-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-2-[2-(2,6-dimethylmorpholin-4-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-bromo-2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-(2,6-dimethyl-4-morpholinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-(2,6-dimethylmorpholino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CC(=O)NC2=C(C(=C(S2)Br)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CN(CC(O1)C)CC(=O)NC2=C(C(=C(S2)Br)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23BrN2O4S/c1-12-9-23(10-13(2)27-12)11-15(24)22-19-17(20(25)26-3)16(18(21)28-19)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,22,24)