5-[(6-oxidanyl-2,3,3a,4-tetrahydro-1-benzofuran-7-yl)methylamino]thiophene-2-carbonitrile

Systemtic Name: 5-[(6-oxidanyl-2,3,3a,4-tetrahydro-1-benzofuran-7-yl)methylamino]thiophene-2-carbonitrile Openeye Name: 5-[(6-hydroxy-2,3,3a,4-tetrahydrobenzofuran-7-yl)methylamino]thiophene-2-carbonitrile CAS Name: 5-[(6-hydroxy-2,3,3a,4-tetrahydrobenzofuran-7-yl)methylamino]-2-thiophenecarbonitrile IUPAC Name: 5-[(6-hydroxy-2,3,3a,4-tetrahydro-1-benzofuran-7-yl)methylamino]thiophene-2-carbonitrile Traditional Name: 5-[(6-hydroxy-2,3,3a,4-tetrahydrobenzofuran-7-yl)methylamino]thiophene-2-carbonitrile Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CCC21)O)CNC3=CC=C(S3)C#N

Isomeric SMILES

C1COC2=C(C(=CCC21)O)CNC3=CC=C(S3)C#N

InChI

InChI=1S/C14H14N2O2S/c15-7-10-2-4-13(19-10)16-8-11-12(17)3-1-9-5-6-18-14(9)11/h2-4,9,16-17H,1,5-6,8H2