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

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-methoxyethanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C12H11BrN2O4S MolecularWeight: 359.19574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O4S/c1-18-6-12(17)19-5-11(16)15-10-3-2-8(20-7-14)4-9(10)13/h2-4H,5-6H2,1H3,(H,15,16)