ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-2-morpholino-benzoic acid ethyl ester Formula: C22H20Cl2N2O4S MolecularWeight: 479.3762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)N4CCOCC4

InChI

InChI=1S/C22H20Cl2N2O4S/c1-2-30-22(28)16-12-14(4-6-17(16)26-7-9-29-10-8-26)25-21(27)20-19(24)15-5-3-13(23)11-18(15)31-20/h3-6,11-12H,2,7-10H2,1H3,(H,25,27)