[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C19H17FN2O4S/c1-12-7-14(27-11-21)4-5-16(12)22-18(23)10-26-19(24)9-13-3-6-17(25-2)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,22,23)