2-methoxyethyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(3-nitrobenzoyl)amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C15H18N4O7S MolecularWeight: 398.39102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O7S/c1-25-7-8-26-13(21)6-5-12(20)16-15(27)18-17-14(22)10-3-2-4-11(9-10)19(23)24/h2-4,9H,5-8H2,1H3,(H,17,22)(H2,16,18,20,27)