(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-nitrophenyl)prop-2-enoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-nitrophenyl)prop-2-enoate CAS Name: 3-(4-nitrophenyl)-2-propenoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(4-nitrophenyl)prop-2-enoate Traditional Name: 3-(4-nitrophenyl)acrylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5S/c26-19(11-8-14-6-9-16(10-7-14)25(28)29)30-12-18-23-21(27)20-17(13-31-22(20)24-18)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,24,27)