[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-[(4-fluorobenzoyl)amino]acetate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate Traditional Name: 2-[(4-fluorobenzoyl)amino]acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O4S/c1-12-8-15(28-11-21)6-7-16(12)23-17(24)10-27-18(25)9-22-19(26)13-2-4-14(20)5-3-13/h2-8H,9-10H2,1H3,(H,22,26)(H,23,24)