(4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid (4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=NC3=C(C=CS3)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=NC3=C(C=CS3)C(=O)N2

InChI

InChI=1S/C18H18N2O4S/c1-11-3-4-12(2)14(9-11)23-7-5-16(21)24-10-15-19-17(22)13-6-8-25-18(13)20-15/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,19,20,22)