ethyl 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H23BrN2O3S MolecularWeight: 415.34512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H23BrN2O3S/c1-3-23-17(22)20-8-6-14(7-9-20)19-16(21)11-24-15-5-4-13(18)10-12(15)2/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,19,21)