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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-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-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H11N3O5S/c20-14(5-4-10-2-1-3-11(8-10)19(22)23)24-9-13-17-12-6-7-25-15(12)16(21)18-13/h1-8H,9H2,(H,17,18,21)/b5-4+