ethyl 2-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanoyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]anilino)acetate CAS Name: 2-(N-[2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]anilino)acetate Traditional Name: 2-(N-[2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetyl]anilino)acetic acid ethyl ester Formula: C28H26FN3O3S MolecularWeight: 503.587743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N(CC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N(CC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26FN3O3S/c1-3-19-10-15-24-23(16-19)28(31-27(30-24)20-11-13-21(29)14-12-20)36-18-25(33)32(17-26(34)35-4-2)22-8-6-5-7-9-22/h5-16H,3-4,17-18H2,1-2H3