ethyl 2-[(3Z)-2-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-4,5-diketo-pyrrolidino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C26H21ClN2O7S MolecularWeight: 540.97214

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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(=CC=C5)Cl)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(=CC=C5)Cl)C

InChI

InChI=1S/C26H21ClN2O7S/c1-3-34-25(33)23-13(2)28-26(37-23)29-20(14-5-4-6-16(27)11-14)19(22(31)24(29)32)21(30)15-7-8-17-18(12-15)36-10-9-35-17/h4-8,11-12,20,30H,3,9-10H2,1-2H3/b21-19-