[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-14(6-8-21-11)16(20)22-10-15(19)18-7-9-23-13-4-2-12(17)3-5-13/h2-6,8H,7,9-10H2,1H3,(H,18,19)