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

Systemtic Name: [5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-cyanobenzoate Openeye Name: [5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H13N3O3S2 MolecularWeight: 407.46552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O3S2/c1-11-5-6-15(28-11)14-10-27-19-17(14)18(24)22-16(23-19)9-26-20(25)13-4-2-3-12(7-13)8-21/h2-7,10H,9H2,1H3,(H,22,23,24)