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

Systemtic Name: methyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCOCC4

InChI

InChI=1S/C21H19ClN2O4S/c1-27-21(26)15-12-13(6-7-16(15)24-8-10-28-11-9-24)23-20(25)19-18(22)14-4-2-3-5-17(14)29-19/h2-7,12H,8-11H2,1H3,(H,23,25)