(4Z)-1-(3-methoxypropyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4Z)-1-(3-methoxypropyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4Z)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-1-(3-methoxypropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4Z)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-1-(3-methoxypropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4Z)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4Z)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-1-(3-methoxypropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC=CS4)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C(=C/3\C(N(C(=O)C3=O)CCCOC)C4=CC=CS4)/O

InChI

InChI=1S/C22H23NO5S/c1-13-11-15-12-14(6-7-16(15)28-13)20(24)18-19(17-5-3-10-29-17)23(8-4-9-27-2)22(26)21(18)25/h3,5-7,10,12-13,19,24H,4,8-9,11H2,1-2H3/b20-18-