N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-3-methyl-benzofuran-2-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-methoxy-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-methoxy-3-methyl-coumarilamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O3S/c1-14-18-11-17(25-2)7-8-19(18)26-20(14)21(24)23-9-10-27-13-16-6-4-3-5-15(16)12-22/h3-8,11H,9-10,13H2,1-2H3,(H,23,24)