[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl (E)-3-phenylprop-2-enoate

Systemtic Name: [5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl (E)-3-phenylprop-2-enoate Openeye Name: [5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c1-13-7-9-16(28-13)15-12-27-21-19(15)20(25)22-17(23-21)11-26-18(24)10-8-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25)/b10-8+