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

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S/c1-8(2)13(18)19-6-12(17)16-11-4-3-9(20-7-15)5-10(11)14/h3-5,8H,6H2,1-2H3,(H,16,17)