(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic 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 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-11-9-12(4-5-13(11)19)24-7-2-3-16(22)25-10-15-20-14-6-8-26-17(14)18(23)21-15/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,23)