[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-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(=CC(=C1)F)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

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

InChI

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