[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)NCCSC1=CC=C(C=C1)Br

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)NCCSC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H18BrNO3S/c1-2-3-4-5-16(20)21-12-15(19)18-10-11-22-14-8-6-13(17)7-9-14/h2-9H,10-12H2,1H3,(H,18,19)/b3-2+,5-4+