2-methoxyethyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C20H29N3O6S/c1-13(2)15-6-5-14(3)11-16(15)29-12-18(25)22-23-20(30)21-17(24)7-8-19(26)28-10-9-27-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,22,25)(H2,21,23,24,30)