(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)C

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)C

InChI

InChI=1S/C17H23N3O5S/c1-4-5-8-26(23,24)19-13(3)17(22)25-11-14-9-16(21)20-10-12(2)6-7-15(20)18-14/h6-7,9-10,13,19H,4-5,8,11H2,1-3H3/t13-/m0/s1