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

Systemtic Name: methyl 2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C21H18ClFN2O4S MolecularWeight: 448.895023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN2O4S/c1-28-21(27)15-11-13(25-6-8-29-9-7-25)3-5-16(15)24-20(26)19-18(22)14-4-2-12(23)10-17(14)30-19/h2-5,10-11H,6-9H2,1H3,(H,24,26)