3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-thiophen-2-yl-2-benzofuran-1-one

Systemtic Name: 3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-thiophen-2-yl-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-(2-thienyl)isobenzofuran-1-one CAS Name: 3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-thiophen-2-yl-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-thiophen-2-yl-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(diethylamino)phenyl]-6-(dimethylamino)-3-(2-thienyl)phthalide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=CS4)N(CC)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=CS4)N(CC)CC

InChI

InChI=1S/C28H35N3O2S/c1-7-30(8-2)21-14-16-24(25(19-21)31(9-3)10-4)28(26-12-11-17-34-26)23-15-13-20(29(5)6)18-22(23)27(32)33-28/h11-19H,7-10H2,1-6H3