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

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C19H19N3O4S/c1-13-4-7-22-16(9-13)21-15(10-17(22)23)11-26-18(24)3-2-6-20-19(25)14-5-8-27-12-14/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,20,25)