bromanylmethane; 3-ethoxy-5-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: bromanylmethane; 3-ethoxy-5-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: bromomethane; 3-ethoxy-5-nitro-N-(2-pyrrolidin-1-ylethyl)benzothiophene-2-carboxamide CAS Name: bromomethane; 3-ethoxy-5-nitro-N-[2-(1-pyrrolidinyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: bromomethane; 3-ethoxy-5-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: bromomethane; 3-ethoxy-5-nitro-N-(2-pyrrolidinoethyl)benzothiophene-2-carboxamide Formula: C18H24BrN3O4S MolecularWeight: 458.36986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NCCN3CCCC3.CBr

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NCCN3CCCC3.CBr

InChI

InChI=1S/C17H21N3O4S.CH3Br/c1-2-24-15-13-11-12(20(22)23)5-6-14(13)25-16(15)17(21)18-7-10-19-8-3-4-9-19;1-2/h5-6,11H,2-4,7-10H2,1H3,(H,18,21);1H3