[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxyethanoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxyethanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br

Isomeric SMILES

CCOCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br

InChI

InChI=1S/C13H13BrN2O4S/c1-2-19-7-13(18)20-6-12(17)16-11-4-3-9(21-8-15)5-10(11)14/h3-5H,2,6-7H2,1H3,(H,16,17)