(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-5-m-phenetyl-pyrrolidine-2,3-quinone Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C

InChI

InChI=1S/C31H28N2O5S/c1-5-37-22-8-6-7-19(15-22)27-25(28(34)20-9-10-23-21(14-20)13-18(4)38-23)29(35)30(36)33(27)31-32-26-17(3)11-16(2)12-24(26)39-31/h6-12,14-15,18,27,34H,5,13H2,1-4H3/b28-25+