N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O4S/c1-13-8-14(2)10-17(9-13)26-7-6-21(3)20(23)19-12-15-11-16(22(24)25)4-5-18(15)27-19/h4-5,8-12H,6-7H2,1-3H3