N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-nitro-benzothiophene-2-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

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