methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H21BrN2O9S MolecularWeight: 617.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)N2C(/C(=C(\C3=CC4=C(C=C3)OCCO4)/O)/C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC)C(=O)OC

InChI

InChI=1S/C26H21BrN2O9S/c1-11-23(25(34)36-3)39-26(28-11)29-19(13-8-14(27)21(31)17(10-13)35-2)18(22(32)24(29)33)20(30)12-4-5-15-16(9-12)38-7-6-37-15/h4-5,8-10,19,30-31H,6-7H2,1-3H3/b20-18-