(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic 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 (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]acrylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H14F2N2O5S MolecularWeight: 408.375966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC(F)F

InChI

InChI=1S/C18H14F2N2O5S/c1-25-13-8-10(2-4-12(13)27-18(19)20)3-5-15(23)26-9-14-21-11-6-7-28-16(11)17(24)22-14/h2-8,18H,9H2,1H3,(H,21,22,24)/b5-3+