2-[[(2R)-2-(4-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-(4-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2R)-2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-(4-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-8(19-7-9(6-17-19)20(23)24)14(22)18-15-12(13(16)21)10-4-2-3-5-11(10)25-15/h6-8H,2-5H2,1H3,(H2,16,21)(H,18,22)/t8-/m1/s1