[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C18H14ClFN2O3S MolecularWeight: 392.831763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl)C)SC#N

InChI

InChI=1S/C18H14ClFN2O3S/c1-10-5-13(26-9-21)6-11(2)17(10)22-16(23)8-25-18(24)14-4-3-12(20)7-15(14)19/h3-7H,8H2,1-2H3,(H,22,23)