7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methyl-2-thienyl)methylene]benzofuran-3-one CAS Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-benzofuranone IUPAC Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazino]methyl]-2-[(3-methyl-2-thienyl)methylene]coumaran-3-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO

Isomeric SMILES

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO

InChI

InChI=1S/C21H24N2O4S/c1-14-4-11-28-19(14)12-18-20(26)15-2-3-17(25)16(21(15)27-18)13-23-7-5-22(6-8-23)9-10-24/h2-4,11-12,24-25H,5-10,13H2,1H3