ethyl 2-[(3E)-2-(4-butoxyphenyl)-4,5-bis(oxidanylidene)-3-[oxidanyl-(3-propoxyphenyl)methylidene]pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3E)-2-(4-butoxyphenyl)-4,5-bis(oxidanylidene)-3-[oxidanyl-(3-propoxyphenyl)methylidene]pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3E)-2-(4-butoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylene]-4,5-dioxo-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3E)-2-(4-butoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxo-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3E)-2-(4-butoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3E)-2-(4-butoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylene]-4,5-diketo-pyrrolidino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C31H34N2O7S MolecularWeight: 578.67586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCCC)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCCC)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C31H34N2O7S/c1-5-8-17-40-22-14-12-20(13-15-22)25-24(26(34)21-10-9-11-23(18-21)39-16-6-2)27(35)29(36)33(25)31-32-19(4)28(41-31)30(37)38-7-3/h9-15,18,25,34H,5-8,16-17H2,1-4H3/b26-24+