(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)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 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CSC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CSC=C3)C=C1

InChI

InChI=1S/C17H16N2O3S/c1-12-2-4-15-18-14(8-16(20)19(15)9-12)10-22-17(21)5-3-13-6-7-23-11-13/h2,4,6-9,11H,3,5,10H2,1H3