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

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] butanoate Traditional Name: butyric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S/c1-2-3-13(18)19-7-12(17)16-11-5-4-9(20-8-15)6-10(11)14/h4-6H,2-3,7H2,1H3,(H,16,17)