methyl 2-[2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]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)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)F

InChI

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