[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrNO3S/c18-14-6-8-15(9-7-14)23-11-10-19-16(20)12-22-17(21)13-4-2-1-3-5-13/h1-2,6-9,13H,3-5,10-12H2,(H,19,20)/t13-/m1/s1