2-methoxyethyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-bromo-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-bromo-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-bromo-4-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C14H16BrN3O6S MolecularWeight: 434.26234

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C14H16BrN3O6S/c1-23-6-7-24-13(20)5-4-12(19)17-14(25)16-11-3-2-9(18(21)22)8-10(11)15/h2-3,8H,4-7H2,1H3,(H2,16,17,19,25)