methyl (2S)-2-[(1R)-1-acetyloxy-3-methyl-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylate

Systemtic Name: methyl (2S)-2-[(1R)-1-acetyloxy-3-methyl-butyl]-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)aziridine-2-carboxylate Openeye Name: methyl (2S)-2-[(1R)-1-acetoxy-3-methyl-butyl]-1-(2-ethyl-4-oxo-quinazolin-3-yl)aziridine-2-carboxylate CAS Name: (2S)-2-[(1R)-1-acetyloxy-3-methylbutyl]-1-(2-ethyl-4-oxo-3-quinazolinyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-2-[(1R)-1-acetyloxy-3-methylbutyl]-1-(2-ethyl-4-oxoquinazolin-3-yl)aziridine-2-carboxylate Traditional Name: (2S)-2-[(1R)-1-acetoxy-3-methyl-butyl]-1-(2-ethyl-4-keto-quinazolin-3-yl)ethylenimine-2-carboxylic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3CC3(C(CC(C)C)OC(=O)C)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3C[C@]3([C@@H](CC(C)C)OC(=O)C)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-6-18-22-16-10-8-7-9-15(16)19(26)24(18)23-12-21(23,20(27)28-5)17(11-13(2)3)29-14(4)25/h7-10,13,17H,6,11-12H2,1-5H3/t17-,21+,23?/m1/s1