methyl 2-[2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC(=O)OC)F

InChI

InChI=1S/C20H18FN3O4S/c1-12-7-8-13(9-15(12)21)24-19(27)14-5-3-4-6-16(14)23-20(24)29-11-17(25)22-10-18(26)28-2/h3-9H,10-11H2,1-2H3,(H,22,25)