(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(3-methylphenoxy)propanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(3-methylphenoxy)propanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H16N2O4S/c1-11-3-2-4-12(9-11)22-7-5-15(20)23-10-14-18-13-6-8-24-16(13)17(21)19-14/h2-4,6,8-9H,5,7,10H2,1H3,(H,18,19,21)