(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C18H17N3O4S/c22-16-10-14(20-15-4-1-2-8-21(15)16)11-25-17(23)5-3-7-19-18(24)13-6-9-26-12-13/h1-2,4,6,8-10,12H,3,5,7,11H2,(H,19,24)