N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C18H21N5O5S/c24-15(11-22-10-12(9-19-22)23(26)27)20-17-16(13-3-1-2-4-14(13)29-17)18(25)21-5-7-28-8-6-21/h9-10H,1-8,11H2,(H,20,24)