methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3E)-2-(3-ethoxy-4-isopentyloxy-phenyl)-3-[hydroxy(4-pyridyl)methylene]-4,5-dioxo-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy(pyridin-4-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3E)-2-(3-ethoxy-4-isoamoxy-phenyl)-3-[hydroxy(4-pyridyl)methylene]-4,5-diketo-pyrrolidino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C29H31N3O7S MolecularWeight: 565.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C)OCCC(C)C

InChI

InChI=1S/C29H31N3O7S/c1-6-38-21-15-19(7-8-20(21)39-14-11-16(2)3)23-22(24(33)18-9-12-30-13-10-18)25(34)27(35)32(23)29-31-17(4)26(40-29)28(36)37-5/h7-10,12-13,15-16,23,33H,6,11,14H2,1-5H3/b24-22+