methyl 3-[2-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-12(16(24)21-19(2,3)4)27-18-20-14-9-7-6-8-13(14)17(25)22(18)11-10-15(23)26-5/h6-9,12H,10-11H2,1-5H3,(H,21,24)/t12-/m1/s1