methyl 3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(2-morpholino-5-nitro-benzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(2-morpholino-5-nitro-benzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H21N3O6S/c1-27-18(23)12-15(17-3-2-10-29-17)20-19(24)14-11-13(22(25)26)4-5-16(14)21-6-8-28-9-7-21/h2-5,10-11,15H,6-9,12H2,1H3,(H,20,24)