[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20FNO3S2 MolecularWeight: 405.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H20FNO3S2/c1-13(18(23)22-17-6-3-2-5-16(17)21)25-19(24)14-7-9-15(10-8-14)20-26-11-4-12-27-20/h2-3,5-10,13,20H,4,11-12H2,1H3,(H,22,23)