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

Systemtic Name: 3-chloranyl-N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]benzothiophene-2-carboxamide Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

InChI

InChI=1S/C21H22ClNO3S/c1-3-25-16-10-9-14(13-17(16)26-4-2)11-12-23-21(24)20-19(22)15-7-5-6-8-18(15)27-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24)