(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-12(2)17(22-19(25)15-7-5-9-28-15)20(26)27-11-14-10-16(24)23-8-4-6-13(3)18(23)21-14/h4-10,12,17H,11H2,1-3H3,(H,22,25)/t17-/m0/s1