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

Systemtic Name: methyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18Cl2N2O4S MolecularWeight: 465.34962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O4S/c1-28-21(27)15-11-13(3-5-16(15)25-6-8-29-9-7-25)24-20(26)19-18(23)14-4-2-12(22)10-17(14)30-19/h2-5,10-11H,6-9H2,1H3,(H,24,26)