[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)Br

InChI

InChI=1S/C15H13BrN2O3S/c1-2-3-4-5-15(20)21-9-14(19)18-13-7-6-11(22-10-17)8-12(13)16/h2-8H,9H2,1H3,(H,18,19)/b3-2+,5-4+