2-methoxyethyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H22BrN3O6S MolecularWeight: 476.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O6S/c1-11-9-12(3-4-13(11)18)27-10-15(23)20-21-17(28)19-14(22)5-6-16(24)26-8-7-25-2/h3-4,9H,5-8,10H2,1-2H3,(H,20,23)(H2,19,21,22,28)