3,4,5-trimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-2-nitro-benzamide Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC[C@@H](C2=CC=CS2)N3CCOCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H25N3O7S/c1-27-15-11-13(17(23(25)26)19(29-3)18(15)28-2)20(24)21-12-14(16-5-4-10-31-16)22-6-8-30-9-7-22/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,21,24)/t14-/m0/s1