(2Z)-7-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-[(3-methyl-2-thienyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidinyl]methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidino]methyl]-2-[(3-methyl-2-thienyl)methylene]coumaran-3-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)O

Isomeric SMILES

C[C@@H]1CCCN(C1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CS4)C)/C3=O)O

InChI

InChI=1S/C21H23NO3S/c1-13-4-3-8-22(11-13)12-16-17(23)6-5-15-20(24)18(25-21(15)16)10-19-14(2)7-9-26-19/h5-7,9-10,13,23H,3-4,8,11-12H2,1-2H3/b18-10-/t13-/m1/s1