N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-ethyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-ethyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-ethyl-5-nitro-benzothiophene-2-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)(C)C)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NC(C)(C)C)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-5-19(10-15(21)18-17(2,3)4)16(22)14-9-11-8-12(20(23)24)6-7-13(11)25-14/h6-9H,5,10H2,1-4H3,(H,18,21)