[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCC(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1=COC(=C1)CCC(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO4S/c18-13-3-6-15(7-4-13)24-11-9-19-16(20)12-23-17(21)8-5-14-2-1-10-22-14/h1-4,6-7,10H,5,8-9,11-12H2,(H,19,20)