[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C16H10BrFN2O3S MolecularWeight: 409.229603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br)F

InChI

InChI=1S/C16H10BrFN2O3S/c17-12-7-10(24-9-19)5-6-14(12)20-15(21)8-23-16(22)11-3-1-2-4-13(11)18/h1-7H,8H2,(H,20,21)