ethyl 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23BrN2O3S MolecularWeight: 415.34512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C17H23BrN2O3S/c1-4-23-17(22)20-7-5-19(6-8-20)16(21)11-24-15-10-12(2)14(18)9-13(15)3/h9-10H,4-8,11H2,1-3H3