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

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(3-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=C1)F)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

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