N-[(2S)-heptan-2-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-heptan-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-methylhexyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[(2S)-heptan-2-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(2S)-heptan-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[(1S)-1-methylhexyl]-5-nitro-thiophene-2-carboxamide Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-9(2)13-12(15)10-7-8-11(18-10)14(16)17/h7-9H,3-6H2,1-2H3,(H,13,15)/t9-/m0/s1