ethyl 2-[(3Z)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3Z)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3Z)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-4,5-dioxo-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3Z)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3Z)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3Z)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-4,5-diketo-pyrrolidino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H23BrN2O9S MolecularWeight: 631.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(\C3=CC4=C(C=C3)OCCO4)/O)/C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C

InChI

InChI=1S/C27H23BrN2O9S/c1-4-37-26(35)24-12(2)29-27(40-24)30-20(14-9-15(28)22(32)18(11-14)36-3)19(23(33)25(30)34)21(31)13-5-6-16-17(10-13)39-8-7-38-16/h5-6,9-11,20,31-32H,4,7-8H2,1-3H3/b21-19-