[1-(4-fluorophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-sulfanylidene-ethyl] ethanoate

Systemtic Name: [1-(4-fluorophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-sulfanylidene-ethyl] ethanoate Openeye Name: [1-(4-fluorophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-thioxo-ethyl] acetate CAS Name: acetic acid [1-(4-fluorophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-sulfanylideneethyl] ester IUPAC Name: [1-(4-fluorophenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-sulfanylideneethyl] acetate Traditional Name: acetic acid [1-(4-fluorophenyl)-2-[2-(3-methoxy-4-propargyloxy-phenyl)ethylamino]-2-thioxo-ethyl] ester Formula: C22H22FNO4S MolecularWeight: 415.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)F)C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)F)C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC

InChI

InChI=1S/C22H22FNO4S/c1-4-13-27-19-10-5-16(14-20(19)26-3)11-12-24-22(29)21(28-15(2)25)17-6-8-18(23)9-7-17/h1,5-10,14,21H,11-13H2,2-3H3,(H,24,29)