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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-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-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-23-13-8-10(2-4-12(13)20)3-5-15(21)24-9-14-18-11-6-7-25-16(11)17(22)19-14/h2-8,20H,9H2,1H3,(H,18,19,22)/b5-3+