[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O4S/c1-11-6-14(27-10-21)7-12(2)18(11)22-17(23)9-26-19(24)13-4-5-16(25-3)15(20)8-13/h4-8H,9H2,1-3H3,(H,22,23)