2-methoxyethyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-iodobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C15H18IN3O5S MolecularWeight: 479.28999

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C15H18IN3O5S/c1-23-8-9-24-13(21)7-6-12(20)17-15(25)19-18-14(22)10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,18,22)(H2,17,19,20,25)