[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C18H15FN2O4S MolecularWeight: 374.386103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C18H15FN2O4S/c1-11-7-13(26-10-20)4-6-16(11)21-17(22)9-25-18(23)14-5-3-12(24-2)8-15(14)19/h3-8H,9H2,1-2H3,(H,21,22)