[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-15(2,3)7-14(20)21-8-13(19)18-12-5-4-10(22-9-17)6-11(12)16/h4-6H,7-8H2,1-3H3,(H,18,19)