butyl (3E)-3-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylidene]-6-methyl-2,4-bis(oxidanylidene)hept-5-enoate

Systemtic Name: butyl (3E)-3-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylidene]-6-methyl-2,4-bis(oxidanylidene)hept-5-enoate Openeye Name: butyl (3E)-3-[[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]methylene]-6-methyl-2,4-dioxo-hept-5-enoate CAS Name: (3E)-3-[[[(2-tert-butyl-6-ethylanilino)-sulfanylidenemethyl]amino]methylidene]-6-methyl-2,4-dioxo-5-heptenoic acid butyl ester IUPAC Name: butyl (3E)-3-[[(2-tert-butyl-6-ethylphenyl)carbamothioylamino]methylidene]-6-methyl-2,4-dioxohept-5-enoate Traditional Name: (3E)-3-[[(2-tert-butyl-6-ethyl-phenyl)thiocarbamoylamino]methylene]-2,4-diketo-6-methyl-hept-5-enoic acid butyl ester Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C(=CNC(=S)NC1=C(C=CC=C1C(C)(C)C)CC)C(=O)C=C(C)C

Isomeric SMILES

CCCCOC(=O)C(=O)/C(=C/NC(=S)NC1=C(C=CC=C1C(C)(C)C)CC)/C(=O)C=C(C)C

InChI

InChI=1S/C26H36N2O4S/c1-8-10-14-32-24(31)23(30)19(21(29)15-17(3)4)16-27-25(33)28-22-18(9-2)12-11-13-20(22)26(5,6)7/h11-13,15-16H,8-10,14H2,1-7H3,(H2,27,28,33)/b19-16+