[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(3-fluorophenyl)acetate CAS Name: 2-(3-fluorophenyl)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate Traditional Name: 2-(3-fluorophenyl)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC(=CC=C2)F)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC(=CC=C2)F)C)SC#N

InChI

InChI=1S/C19H17FN2O3S/c1-12-6-16(26-11-21)7-13(2)19(12)22-17(23)10-25-18(24)9-14-4-3-5-15(20)8-14/h3-8H,9-10H2,1-2H3,(H,22,23)