propyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C23H22ClN3O6S MolecularWeight: 503.95528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)N4CCOCC4

InChI

InChI=1S/C23H22ClN3O6S/c1-2-10-33-23(29)16-13-14(6-7-17(16)26-8-11-32-12-9-26)25-22(28)21-19(24)15-4-3-5-18(27(30)31)20(15)34-21/h3-7,13H,2,8-12H2,1H3,(H,25,28)