3-chloranyl-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C21H21ClFNO3S MolecularWeight: 421.912743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OCC

InChI

InChI=1S/C21H21ClFNO3S/c1-4-26-16-9-6-13(10-17(16)27-5-2)12(3)24-21(25)20-19(22)15-8-7-14(23)11-18(15)28-20/h6-12H,4-5H2,1-3H3,(H,24,25)