methyl 2-[2-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C19H22N4O4S/c1-12(2)19(3,11-20)22-15(24)10-28-18-21-14-8-6-5-7-13(14)17(26)23(18)9-16(25)27-4/h5-8,12H,9-10H2,1-4H3,(H,22,24)/t19-/m0/s1